CAS 9014-85-1|2,4,7,9-tetramethyldec-5-yne-4,7-diol; ethane-1,2-diol|2,4,7,9-四甲基-5-癸炔-4,7-二醇乙氧基化物|2,4,7,9-Tetramethyl-5-decyne-4,7-diol ethoxylate|2,4,7,9-tetramethyldec-5-yne-4,7-diol; ...

General Information

Structure

Molecular Formula

C₁₆H₃₂O₄

Molecular Mass

288.42288

Exact Mass

288.2300595

Charge

InChI

InChI=1S/C14H26O2.C2H6O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4;3-1-2-4/h11-12,15-16H,9-10H2,1-6H3;3-4H,1-2H2

InChIKey

SUHUKEQAOUOUJO-UHFFFAOYSA-N

Canonic Smiles

CC(CC(C#CC(CC(C)C)(O)C)(O)C)C.OCCO

Isomeric Smiles

CC(C)CC(C)(C#CC(C)(CC(C)C)O)O.C(CO)O

Calculated Properties

JChem

Acid pKa

13.152416

H Acceptors

H Donor

LogD (pH = 5.5)

3.1676886

LogD (pH = 7.4)

3.167688

Log P

3.1676886

Molar Refractivity

68.5782

Polarizability

26.65792

Polar Surface Area

40.46

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

2,4,7,9-tetramethyldec-5-yne-4,7-diol; ethane-1,2-diol

Synonyms

2,4,7,9-四甲基-5-癸炔-4,7-二醇乙氧基化物2,4,7,9-Tetramethyl-5-decyne-4,7-diol ethoxylate

IUPAC Traditional name

2,4,7,9-tetramethyldec-5-yne-4,7-diol; ethylene glycol

Names and Identifiers

Registration numbers

CAS Number

PubChem SID

MDL Number

PubChem CID

Registration numbers

Properties

Product Information

Mol. Weight

average Mn ~380

average Mw ~395

average Mn ~670

average Mw ~700

Linear Formula

(CH3)2CHCH2C(CH3)[(-OCH2CH2-)mOH]C≡CC(CH3)[(-OCH2CH2-)nOH]CH2CH(CH3)2

pH Range

6 - 8

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

461180

Application
Surfactant. Reduces surface tension; wetting agent, defoamer, and emulsifier for emulsion polymerization.

461199

Packaging
100 mL in poly bottle
Application
Surfactant. Reduces surface tension; wetting agent, defoamer, and emulsifier for emulsion polymerization.

Molecule Details

References

PubChem Literature

No Data Available

Click here to submit data

References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

IUPAC name

2,4,7,9-tetramethyldec-5-yne-4,7-diol; ethane-1,2-diol

Synonyms

2,4,7,9-四甲基-5-癸炔-4,7-二醇乙氧基化物2,4,7,9-Tetramethyl-5-decyne-4,7-diol ethoxylate

IUPAC Traditional name

2,4,7,9-tetramethyldec-5-yne-4,7-diol; ethylene glycol

Registration numbers

CAS Number

PubChem SID

MDL Number

PubChem CID

Molecule Details

461180

Application
Surfactant. Reduces surface tension; wetting agent, defoamer, and emulsifier for emulsion polymerization.

461199

Packaging
100 mL in poly bottle
Application
Surfactant. Reduces surface tension; wetting agent, defoamer, and emulsifier for emulsion polymerization.

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Properties

Product Information

Mol. Weight

average Mn ~380

average Mw ~395

average Mn ~670

average Mw ~700

Linear Formula

(CH3)2CHCH2C(CH3)[(-OCH2CH2-)mOH]C≡CC(CH3)[(-OCH2CH2-)nOH]CH2CH(CH3)2

pH Range

6 - 8

Molecule

ID:136993