CAS 54458-61-6|2,3,4,5-tetramethylcyclopent-2-en-1-one|2,3,4,5-tetramethylcyclopent-2-en-1-one|2,3,4,5-Tetramethylcyclopent-2-enone 95%|2,3,4,5-Tetramethyl-2-cyclopentenone, mixture of cis and trans...

General Information

Structure

Molecular Formula

C₉H₁₄O

Molecular Mass

138.20686

Exact Mass

138.10446507

Charge

InChI

InChI=1S/C9H14O/c1-5-6(2)8(4)9(10)7(5)3/h5,7H,1-4H3

InChIKey

ARUAYSANQMCCEN-UHFFFAOYSA-N

Canonic Smiles

CC1=C(C)C(=O)C(C1C)C

Isomeric Smiles

O=C1C(=C(C(C1C)C)C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.5103662

LogD (pH = 7.4)

2.5103662

Log P

2.5103662

Molar Refractivity

42.5019

Polarizability

16.414505

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

2,3,4,5-tetramethylcyclopent-2-en-1-one

IUPAC name

2,3,4,5-tetramethylcyclopent-2-en-1-one

Synonyms

2,3,4,5-Tetramethylcyclopent-2-enone 95%2,3,4,5-Tetramethyl-2-cyclopentenone, mixture of cis and trans2,3,4,5-四甲基-2-环戊烯酮，顺反异构体混合物2,3,4,5-Tetramethyl-2-cyclopentenone, cis + trans2,3,4,5-四甲基-2-环戊烯酮, 顺式 + 反式2,3,4,5-四甲基-2-环戊烯酮2,3,4,5-Tetramethyl-2-cyclopentenone2,3,4,5-Tetramethylcyclopent-2-enone

Names and Identifiers

Registration numbers

CAS Number

MDL Number

EC Number

Beilstein Number

PubChem SID

2488896516207482724856595