[3-methyl-5-(3-methylbut-1-en-2-yl)cyclohexyl]benzene

C18H26 — CID 168781188

IUPAC[3-methyl-5-(3-methylbut-1-en-2-yl)cyclohexyl]benzene
SMILESC=C(C(C)C)C1CC(C)CC(c2ccccc2)C1
InChIInChI=1S/C18H26/c1-13(2)15(4)17-10-14(3)11-18(12-17)16-8-6-5-7-9-16/h5-9,13-14,17-18H,4,10-12H2,1-3H3
InChIKeyLGQPFDSMKNSKJU-UHFFFAOYSA-N
MW242.41 g/mol
LogP5.42
Rot. Bonds3

About [3-methyl-5-(3-methylbut-1-en-2-yl)cyclohexyl]benzene

[3-methyl-5-(3-methylbut-1-en-2-yl)cyclohexyl]benzene (PubChem CID 168781188) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is [3-methyl-5-(3-methylbut-1-en-2-yl)cyclohexyl]benzene.

Molecular Properties

Compound Name[3-methyl-5-(3-methylbut-1-en-2-yl)cyclohexyl]benzene
PubChem CID168781188
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name[3-methyl-5-(3-methylbut-1-en-2-yl)cyclohexyl]benzene
SMILESC=C(C(C)C)C1CC(C)CC(c2ccccc2)C1
InChIInChI=1S/C18H26/c1-13(2)15(4)17-10-14(3)11-18(12-17)16-8-6-5-7-9-16/h5-9,13-14,17-18H,4,10-12H2,1-3H3
InChIKeyLGQPFDSMKNSKJU-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.42
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

2-methyl-N-(3-phenylcyclobutyl)propanamide
CID 166834731
N,3-dimethyl-5-phenylcyclohexan-1-amine
CID 115707725
[(1S,3R)-3-methylcyclohexyl]benzene
CID 134965435
(3-methylcyclopentyl)benzene;propane
CID 142973096
1-(3-methylbut-1-en-2-yl)-3-propan-2-ylcyclobutane
CID 91035577
5-phenylcyclohexane-1,3-diol
CID 14135723
(5R)-1,3-dimethyl-5-phenylpiperidine
CID 166738745
(3R,5S)-1,3-dimethyl-5-phenylpiperidine
CID 134927538
(2S)-2-[(3-phenylcyclobutyl)amino]propan-1-ol
CID 93252683
N-but-3-yn-2-yl-3-phenylcyclobutan-1-amine
CID 114415383
N-(3-methyl-5-phenylcyclohexyl)-6-propan-2-ylpyridin-3-amine
CID 166382105
(2R,4S)-2-methyl-4-phenyloxolane
CID 101336772

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(3-methylbut-1-en-2-yl)cyclohexyl]benzene?
The IUPAC name of [3-methyl-5-(3-methylbut-1-en-2-yl)cyclohexyl]benzene (CID 168781188) is [3-methyl-5-(3-methylbut-1-en-2-yl)cyclohexyl]benzene.
What is the SMILES notation for [3-methyl-5-(3-methylbut-1-en-2-yl)cyclohexyl]benzene?
The canonical SMILES for [3-methyl-5-(3-methylbut-1-en-2-yl)cyclohexyl]benzene is C=C(C(C)C)C1CC(C)CC(c2ccccc2)C1.
What is the InChIKey of [3-methyl-5-(3-methylbut-1-en-2-yl)cyclohexyl]benzene?
The InChIKey is LGQPFDSMKNSKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26/c1-13(2)15(4)17-10-14(3)11-18(12-17)16-8-6-5-7-9-16/h5-9,13-14,17-18H,4,10-12H2,1-3H3.
What are the key properties of [3-methyl-5-(3-methylbut-1-en-2-yl)cyclohexyl]benzene?
[3-methyl-5-(3-methylbut-1-en-2-yl)cyclohexyl]benzene has a molecular weight of 242.41 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(3-methylbut-1-en-2-yl)cyclohexyl]benzene is sourced from PubChem (CID 168781188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).