Molecule

ID:112673

General Information

Structure

MolImage

Molecular Formula

C₉H₁₈

Molecular Mass

126.23922

Exact Mass

126.14085058

Charge

0

InChI

InChI=1S/C9H18/c1-4-5-6-7-8-9(2)3/h7-9H,4-6H2,1-3H3

InChIKey

RXYSIDRRVRTDIF-UHFFFAOYSA-N

Canonic Smiles

CCCC/C=C/C(C)C

Isomeric Smiles

CCCC/C=C/C(C)C

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

3.9453726

LogD (pH = 7.4)

3.9453726

Log P

3.9453726

Molar Refractivity

44.2754

Polarizability

17.142464

Polar Surface Area

0.0

Rotatable Bonds

4

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity