1-(3-methylcyclopent-2-en-1-yl)cyclohexene

C12H18 — CID 595506

IUPAC1-(3-methylcyclopent-2-en-1-yl)cyclohexene
SMILESCC1=CC(C2=CCCCC2)CC1
InChIInChI=1S/C12H18/c1-10-7-8-12(9-10)11-5-3-2-4-6-11/h5,9,12H,2-4,6-8H2,1H3
InChIKeyHGWDVMYXFVVMLK-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.84
Rot. Bonds1

About 1-(3-methylcyclopent-2-en-1-yl)cyclohexene

1-(3-methylcyclopent-2-en-1-yl)cyclohexene (PubChem CID 595506) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1-(3-methylcyclopent-2-en-1-yl)cyclohexene.

Molecular Properties

Compound Name1-(3-methylcyclopent-2-en-1-yl)cyclohexene
PubChem CID595506
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name1-(3-methylcyclopent-2-en-1-yl)cyclohexene
SMILESCC1=CC(C2=CCCCC2)CC1
InChIInChI=1S/C12H18/c1-10-7-8-12(9-10)11-5-3-2-4-6-11/h5,9,12H,2-4,6-8H2,1H3
InChIKeyHGWDVMYXFVVMLK-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.84
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

1-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(+)-Limonene
CID 440917
Limonene, (-)-
CID 439250
Alpha-Terpinene
CID 7462
beta-Cadinene
CID 10657
Beta-Bisabolene
CID 10104370
delta-Cadinene
CID 441005
Elemene
CID 12309449
alpha-Guaiene
CID 5317844
Alpha-muurolene, (-)-
CID 12306047
Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369
alpha-Bisabolene
CID 86597

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclopent-2-en-1-yl)cyclohexene?
The IUPAC name of 1-(3-methylcyclopent-2-en-1-yl)cyclohexene (CID 595506) is 1-(3-methylcyclopent-2-en-1-yl)cyclohexene.
What is the SMILES notation for 1-(3-methylcyclopent-2-en-1-yl)cyclohexene?
The canonical SMILES for 1-(3-methylcyclopent-2-en-1-yl)cyclohexene is CC1=CC(C2=CCCCC2)CC1.
What is the InChIKey of 1-(3-methylcyclopent-2-en-1-yl)cyclohexene?
The InChIKey is HGWDVMYXFVVMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-10-7-8-12(9-10)11-5-3-2-4-6-11/h5,9,12H,2-4,6-8H2,1H3.
What are the key properties of 1-(3-methylcyclopent-2-en-1-yl)cyclohexene?
1-(3-methylcyclopent-2-en-1-yl)cyclohexene has a molecular weight of 162.28 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclopent-2-en-1-yl)cyclohexene is sourced from PubChem (CID 595506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).