1-[(E)-3,3-dimethylpent-1-enyl]-4-[1-(3,4-dimethylphenyl)-1-ethylpropyl]-2-methylbenzene

C27H38 — CID 143107132

IUPAC1-[(E)-3,3-dimethylpent-1-enyl]-4-[1-(3,4-dimethylphenyl)-1-ethylpropyl]-2-methylbenzene
SMILESCCC(C)(C)/C=C/c1ccc(C(CC)(CC)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C27H38/c1-9-26(7,8)17-16-23-13-15-25(19-22(23)6)27(10-2,11-3)24-14-12-20(4)21(5)18-24/h12-19H,9-11H2,1-8H3/b17-16+
InChIKeyCPQDNKYIMWUKOD-WUKNDPDISA-N
MW362.60 g/mol
LogP8.17
Rot. Bonds7

About 1-[(E)-3,3-dimethylpent-1-enyl]-4-[1-(3,4-dimethylphenyl)-1-ethylpropyl]-2-methylbenzene

1-[(E)-3,3-dimethylpent-1-enyl]-4-[1-(3,4-dimethylphenyl)-1-ethylpropyl]-2-methylbenzene (PubChem CID 143107132) has the molecular formula C27H38 and a molecular weight of 362.60 g/mol. Its IUPAC name is 1-[(E)-3,3-dimethylpent-1-enyl]-4-[1-(3,4-dimethylphenyl)-1-ethylpropyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[(E)-3,3-dimethylpent-1-enyl]-4-[1-(3,4-dimethylphenyl)-1-ethylpropyl]-2-methylbenzene
PubChem CID143107132
Molecular FormulaC27H38
Molecular Weight362.60 g/mol
Exact Mass362.30
IUPAC Name1-[(E)-3,3-dimethylpent-1-enyl]-4-[1-(3,4-dimethylphenyl)-1-ethylpropyl]-2-methylbenzene
SMILESCCC(C)(C)/C=C/c1ccc(C(CC)(CC)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C27H38/c1-9-26(7,8)17-16-23-13-15-25(19-22(23)6)27(10-2,11-3)24-14-12-20(4)21(5)18-24/h12-19H,9-11H2,1-8H3/b17-16+
InChIKeyCPQDNKYIMWUKOD-WUKNDPDISA-N
XLogP8.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[3-(3,4-dimethylphenyl)pentan-3-yl]-1,2-dimethylbenzene
CID 58775966
4-[3-[4-(3-hydroxy-3-methylbut-1-enyl)-3-methylphenyl]pentan-3-yl]-2-methylphenol
CID 69334425
4-[3-[4-[(E)-3-ethyl-3-hydroxypent-1-enyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzaldehyde
CID 143107177
[(E)-1-[4-[3-[4-(carboxymethylcarbamoyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-methylpent-1-en-3-yl]oxidanium
CID 143055090
ethane;2-[[4-[3-[4-[(E)-3-hydroxy-3,4,4-trimethylpent-1-enyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]propanoic acid
CID 142901683
CID 89288793
CID 89288793
2-[[4-[3-[4-[(E)-3-ethyl-3-hydroxy-4,4-dimethylpent-1-enyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]propanoic acid
CID 10323976
2-[[4-[3-[4-[(E)-3-ethyl-3-hydroxy-4,4-dimethylpent-1-enyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]acetic acid
CID 142923443
3-ethyl-1-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]pent-1-en-3-ol
CID 67065065
4-[3-[4-[(E)-3-ethyl-3-hydroxyundec-1-enyl]-3-methylphenyl]pentan-3-yl]-2-methylphenol
CID 58598513
4-[3-[4-[(E)-3-ethyl-3-hydroxynon-1-enyl]-3-methylphenyl]pentan-3-yl]-2-methylphenol
CID 58598583
3-[4-[3-[4-[(E)-3-ethyl-3-hydroxypent-1-enyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propanoic acid
CID 57452648

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3,3-dimethylpent-1-enyl]-4-[1-(3,4-dimethylphenyl)-1-ethylpropyl]-2-methylbenzene?
The IUPAC name of 1-[(E)-3,3-dimethylpent-1-enyl]-4-[1-(3,4-dimethylphenyl)-1-ethylpropyl]-2-methylbenzene (CID 143107132) is 1-[(E)-3,3-dimethylpent-1-enyl]-4-[1-(3,4-dimethylphenyl)-1-ethylpropyl]-2-methylbenzene.
What is the SMILES notation for 1-[(E)-3,3-dimethylpent-1-enyl]-4-[1-(3,4-dimethylphenyl)-1-ethylpropyl]-2-methylbenzene?
The canonical SMILES for 1-[(E)-3,3-dimethylpent-1-enyl]-4-[1-(3,4-dimethylphenyl)-1-ethylpropyl]-2-methylbenzene is CCC(C)(C)/C=C/c1ccc(C(CC)(CC)c2ccc(C)c(C)c2)cc1C.
What is the InChIKey of 1-[(E)-3,3-dimethylpent-1-enyl]-4-[1-(3,4-dimethylphenyl)-1-ethylpropyl]-2-methylbenzene?
The InChIKey is CPQDNKYIMWUKOD-WUKNDPDISA-N. The full InChI is InChI=1S/C27H38/c1-9-26(7,8)17-16-23-13-15-25(19-22(23)6)27(10-2,11-3)24-14-12-20(4)21(5)18-24/h12-19H,9-11H2,1-8H3/b17-16+.
What are the key properties of 1-[(E)-3,3-dimethylpent-1-enyl]-4-[1-(3,4-dimethylphenyl)-1-ethylpropyl]-2-methylbenzene?
1-[(E)-3,3-dimethylpent-1-enyl]-4-[1-(3,4-dimethylphenyl)-1-ethylpropyl]-2-methylbenzene has a molecular weight of 362.60 g/mol, XLogP of 8.17, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3,3-dimethylpent-1-enyl]-4-[1-(3,4-dimethylphenyl)-1-ethylpropyl]-2-methylbenzene is sourced from PubChem (CID 143107132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).