3-methylcyclohexene

C7H12 — CID 11573

IUPAC3-methylcyclohexene
SMILESCC1C=CCCC1
InChIInChI=1S/C7H12/c1-7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3
InChIKeyUZPWKTCMUADILM-UHFFFAOYSA-N
MW96.17 g/mol
LogP2.36
Rot. Bonds

About 3-methylcyclohexene

3-methylcyclohexene (PubChem CID 11573) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is 3-methylcyclohexene.

Molecular Properties

Compound Name3-methylcyclohexene
PubChem CID11573
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name3-methylcyclohexene
SMILESCC1C=CCCC1
InChIInChI=1S/C7H12/c1-7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3
InChIKeyUZPWKTCMUADILM-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 52.36
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

4-Vinyl-1-cyclohexene
CID 7499
Norbornadiene
CID 8473
3-Methylcyclopentene
CID 14263
4-Methylcyclohexene
CID 11572
3-Ethylcyclopentene
CID 79095
4-Methyl-2-hexene
CID 5357249
4-Methyl-2-hexene, (Z)-
CID 5357251
5-Methyl-2-hexene
CID 5357252
(4S)-4-ethenylcyclohexene
CID 638078
3,3-Dimethylcyclohexene
CID 136516
3-Ethylcyclohex-1-ene
CID 137724
4-Ethylcyclohex-1-ene
CID 138037

Frequently Asked Questions

What is the IUPAC name of 3-methylcyclohexene?
The IUPAC name of 3-methylcyclohexene (CID 11573) is 3-methylcyclohexene.
What is the SMILES notation for 3-methylcyclohexene?
The canonical SMILES for 3-methylcyclohexene is CC1C=CCCC1.
What is the InChIKey of 3-methylcyclohexene?
The InChIKey is UZPWKTCMUADILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3.
What are the key properties of 3-methylcyclohexene?
3-methylcyclohexene has a molecular weight of 96.17 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclohexene is sourced from PubChem (CID 11573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).