2,4,5-trimethylhex-4-enylbenzene

C15H22 — CID 20701242

IUPAC2,4,5-trimethylhex-4-enylbenzene
SMILESCC(C)=C(C)CC(C)Cc1ccccc1
InChIInChI=1S/C15H22/c1-12(2)14(4)10-13(3)11-15-8-6-5-7-9-15/h5-9,13H,10-11H2,1-4H3
InChIKeyBOBQWLQQPWLOQV-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.61
Rot. Bonds4

About 2,4,5-trimethylhex-4-enylbenzene

2,4,5-trimethylhex-4-enylbenzene (PubChem CID 20701242) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2,4,5-trimethylhex-4-enylbenzene.

Molecular Properties

Compound Name2,4,5-trimethylhex-4-enylbenzene
PubChem CID20701242
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name2,4,5-trimethylhex-4-enylbenzene
SMILESCC(C)=C(C)CC(C)Cc1ccccc1
InChIInChI=1S/C15H22/c1-12(2)14(4)10-13(3)11-15-8-6-5-7-9-15/h5-9,13H,10-11H2,1-4H3
InChIKeyBOBQWLQQPWLOQV-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5R)-2,5-dimethyl-6-phenylhexan-3-one;3-methylbutan-2-one
CID 162136934
methyl (3R)-3-methyl-4-phenylbutanoate
CID 641406
2-methyl-3-phenylpropan-1-amine
CID 12672558
2-methyl-3-phenylpropane-1-thiol
CID 19981761
ethane;2-methyl-3-phenylpropan-1-amine
CID 90796605
(2S,4R,6S)-2,4,6-trimethyl-7-phenylheptan-1-ol
CID 15830826
4-methyl-5-(4-phenoxyphenyl)pentan-2-one
CID 83938966
(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
dimethyl-(2-methyl-3-phenylpropyl)alumane
CID 19598535
4-methyl-5-phenylpent-1-en-1-ol
CID 70372355
4-(4-hydroxyphenyl)-3-methylbutanoic acid
CID 23378394
(4S)-4-methyl-5-phenylpentanoic acid
CID 6995676

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethylhex-4-enylbenzene?
The IUPAC name of 2,4,5-trimethylhex-4-enylbenzene (CID 20701242) is 2,4,5-trimethylhex-4-enylbenzene.
What is the SMILES notation for 2,4,5-trimethylhex-4-enylbenzene?
The canonical SMILES for 2,4,5-trimethylhex-4-enylbenzene is CC(C)=C(C)CC(C)Cc1ccccc1.
What is the InChIKey of 2,4,5-trimethylhex-4-enylbenzene?
The InChIKey is BOBQWLQQPWLOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-12(2)14(4)10-13(3)11-15-8-6-5-7-9-15/h5-9,13H,10-11H2,1-4H3.
What are the key properties of 2,4,5-trimethylhex-4-enylbenzene?
2,4,5-trimethylhex-4-enylbenzene has a molecular weight of 202.34 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethylhex-4-enylbenzene is sourced from PubChem (CID 20701242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).