5-(4-methylcyclohexyl)bicyclo[2.2.1]hept-2-ene

C14H22 — CID 163949457

IUPAC5-(4-methylcyclohexyl)bicyclo[2.2.1]hept-2-ene
SMILESCC1CCC(C2CC3C=CC2C3)CC1
InChIInChI=1S/C14H22/c1-10-2-5-12(6-3-10)14-9-11-4-7-13(14)8-11/h4,7,10-14H,2-3,5-6,8-9H2,1H3
InChIKeyQEGXVJBTFSMPQK-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.02
Rot. Bonds1

About 5-(4-methylcyclohexyl)bicyclo[2.2.1]hept-2-ene

5-(4-methylcyclohexyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 163949457) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 5-(4-methylcyclohexyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(4-methylcyclohexyl)bicyclo[2.2.1]hept-2-ene
PubChem CID163949457
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name5-(4-methylcyclohexyl)bicyclo[2.2.1]hept-2-ene
SMILESCC1CCC(C2CC3C=CC2C3)CC1
InChIInChI=1S/C14H22/c1-10-2-5-12(6-3-10)14-9-11-4-7-13(14)8-11/h4,7,10-14H,2-3,5-6,8-9H2,1H3
InChIKeyQEGXVJBTFSMPQK-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.02
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

5-[4-(bromomethyl)cyclohexyl]bicyclo[2.2.1]hept-2-ene
CID 162713161
tricyclo[4.2.1.03,8]non-4-ene
CID 15329735
5-(2,4-dimethylcyclopentyl)bicyclo[2.2.1]hept-2-ene
CID 20708566
2-(2-bicyclo[2.2.1]hept-5-enyl)-4,6-dimethyloxane
CID 101130839
1,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 140985387
2-[4-[4-(2-bicyclo[2.2.1]hept-5-enyl)cyclohexyl]naphthalen-1-yl]acetic acid
CID 68584776
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
CID 169431622
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-methylcyclopentan-1-amine
CID 114543889
3-(2-bicyclo[2.2.1]hept-5-enyl)bicyclo[2.2.1]hept-5-en-2-ol
CID 15829496
1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-2-methylpropan-1-one
CID 102086343
1-[(1S,2S,4aR,6S,8aS)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethanone
CID 11564707
pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene
CID 23448609

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylcyclohexyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(4-methylcyclohexyl)bicyclo[2.2.1]hept-2-ene (CID 163949457) is 5-(4-methylcyclohexyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(4-methylcyclohexyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(4-methylcyclohexyl)bicyclo[2.2.1]hept-2-ene is CC1CCC(C2CC3C=CC2C3)CC1.
What is the InChIKey of 5-(4-methylcyclohexyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is QEGXVJBTFSMPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-10-2-5-12(6-3-10)14-9-11-4-7-13(14)8-11/h4,7,10-14H,2-3,5-6,8-9H2,1H3.
What are the key properties of 5-(4-methylcyclohexyl)bicyclo[2.2.1]hept-2-ene?
5-(4-methylcyclohexyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 190.33 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylcyclohexyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 163949457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).