(3R)-3-methylcyclohexene

C7H12 — CID 638077

IUPAC(3R)-3-methylcyclohexene
SMILESC[C@H]1C=CCCC1
InChIInChI=1S/C7H12/c1-7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3/t7-/m0/s1
InChIKeyUZPWKTCMUADILM-ZETCQYMHSA-N
MW96.17 g/mol
LogP2.36
Rot. Bonds

About (3R)-3-methylcyclohexene

(3R)-3-methylcyclohexene (PubChem CID 638077) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is (3R)-3-methylcyclohexene.

Molecular Properties

Compound Name(3R)-3-methylcyclohexene
PubChem CID638077
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name(3R)-3-methylcyclohexene
SMILESC[C@H]1C=CCCC1
InChIInChI=1S/C7H12/c1-7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3/t7-/m0/s1
InChIKeyUZPWKTCMUADILM-ZETCQYMHSA-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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methylcyclohexene?
The IUPAC name of (3R)-3-methylcyclohexene (CID 638077) is (3R)-3-methylcyclohexene.
What is the SMILES notation for (3R)-3-methylcyclohexene?
The canonical SMILES for (3R)-3-methylcyclohexene is C[C@H]1C=CCCC1.
What is the InChIKey of (3R)-3-methylcyclohexene?
The InChIKey is UZPWKTCMUADILM-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3/t7-/m0/s1.
What are the key properties of (3R)-3-methylcyclohexene?
(3R)-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 (3R)-3-methylcyclohexene is sourced from PubChem (CID 638077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).