[(1S)-3-methylcyclopent-2-en-1-yl]cyclohexane

C12H20 — CID 102587442

IUPAC[(1S)-3-methylcyclopent-2-en-1-yl]cyclohexane
SMILESCC1=C[C@H](C2CCCCC2)CC1
InChIInChI=1S/C12H20/c1-10-7-8-12(9-10)11-5-3-2-4-6-11/h9,11-12H,2-8H2,1H3/t12-/m1/s1
InChIKeyUIOCLTQLRPWGHV-GFCCVEGCSA-N
MW164.29 g/mol
LogP3.92
Rot. Bonds1

About [(1S)-3-methylcyclopent-2-en-1-yl]cyclohexane

[(1S)-3-methylcyclopent-2-en-1-yl]cyclohexane (PubChem CID 102587442) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is [(1S)-3-methylcyclopent-2-en-1-yl]cyclohexane.

Molecular Properties

Compound Name[(1S)-3-methylcyclopent-2-en-1-yl]cyclohexane
PubChem CID102587442
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name[(1S)-3-methylcyclopent-2-en-1-yl]cyclohexane
SMILESCC1=C[C@H](C2CCCCC2)CC1
InChIInChI=1S/C12H20/c1-10-7-8-12(9-10)11-5-3-2-4-6-11/h9,11-12H,2-8H2,1H3/t12-/m1/s1
InChIKeyUIOCLTQLRPWGHV-GFCCVEGCSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.92
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
Beta-Phellandrene
CID 11142
Valencene
CID 9855795
Elemene
CID 12309449
beta-Cadinene
CID 10657
delta-Cadinene
CID 441005
Beta-Bisabolene
CID 10104370
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 [(1S)-3-methylcyclopent-2-en-1-yl]cyclohexane?
The IUPAC name of [(1S)-3-methylcyclopent-2-en-1-yl]cyclohexane (CID 102587442) is [(1S)-3-methylcyclopent-2-en-1-yl]cyclohexane.
What is the SMILES notation for [(1S)-3-methylcyclopent-2-en-1-yl]cyclohexane?
The canonical SMILES for [(1S)-3-methylcyclopent-2-en-1-yl]cyclohexane is CC1=C[C@H](C2CCCCC2)CC1.
What is the InChIKey of [(1S)-3-methylcyclopent-2-en-1-yl]cyclohexane?
The InChIKey is UIOCLTQLRPWGHV-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H20/c1-10-7-8-12(9-10)11-5-3-2-4-6-11/h9,11-12H,2-8H2,1H3/t12-/m1/s1.
What are the key properties of [(1S)-3-methylcyclopent-2-en-1-yl]cyclohexane?
[(1S)-3-methylcyclopent-2-en-1-yl]cyclohexane has a molecular weight of 164.29 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3-methylcyclopent-2-en-1-yl]cyclohexane is sourced from PubChem (CID 102587442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).