[(E)-2-methylpent-2-enyl]cyclohexane

C12H22 — CID 143898911

IUPAC[(E)-2-methylpent-2-enyl]cyclohexane
SMILESCC/C=C(\C)CC1CCCCC1
InChIInChI=1S/C12H22/c1-3-7-11(2)10-12-8-5-4-6-9-12/h7,12H,3-6,8-10H2,1-2H3/b11-7+
InChIKeyWRWSKWMCGKMWHS-YRNVUSSQSA-N
MW166.31 g/mol
LogP4.31
Rot. Bonds3

About [(E)-2-methylpent-2-enyl]cyclohexane

[(E)-2-methylpent-2-enyl]cyclohexane (PubChem CID 143898911) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is [(E)-2-methylpent-2-enyl]cyclohexane.

Molecular Properties

Compound Name[(E)-2-methylpent-2-enyl]cyclohexane
PubChem CID143898911
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name[(E)-2-methylpent-2-enyl]cyclohexane
SMILESCC/C=C(\C)CC1CCCCC1
InChIInChI=1S/C12H22/c1-3-7-11(2)10-12-8-5-4-6-9-12/h7,12H,3-6,8-10H2,1-2H3/b11-7+
InChIKeyWRWSKWMCGKMWHS-YRNVUSSQSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.31
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
Gamma-Terpinene
CID 7461
Beta-Bisabolene
CID 10104370
delta-Cadinene
CID 441005
Alpha-muurolene, (-)-
CID 12306047
Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369
alpha-Bisabolene
CID 86597
alpha-Camphorene
CID 101750
p-Menth-1-ene
CID 21671
(+)-germacrene A
CID 9548705

Frequently Asked Questions

What is the IUPAC name of [(E)-2-methylpent-2-enyl]cyclohexane?
The IUPAC name of [(E)-2-methylpent-2-enyl]cyclohexane (CID 143898911) is [(E)-2-methylpent-2-enyl]cyclohexane.
What is the SMILES notation for [(E)-2-methylpent-2-enyl]cyclohexane?
The canonical SMILES for [(E)-2-methylpent-2-enyl]cyclohexane is CC/C=C(\C)CC1CCCCC1.
What is the InChIKey of [(E)-2-methylpent-2-enyl]cyclohexane?
The InChIKey is WRWSKWMCGKMWHS-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H22/c1-3-7-11(2)10-12-8-5-4-6-9-12/h7,12H,3-6,8-10H2,1-2H3/b11-7+.
What are the key properties of [(E)-2-methylpent-2-enyl]cyclohexane?
[(E)-2-methylpent-2-enyl]cyclohexane has a molecular weight of 166.31 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-methylpent-2-enyl]cyclohexane is sourced from PubChem (CID 143898911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).