1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methyl]cyclohexene

C15H24 — CID 23031272

IUPAC1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methyl]cyclohexene
SMILESCC1=CCC(CC2CC=C(C)CC2)CC1
InChIInChI=1S/C15H24/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15/h3,5,14-15H,4,6-11H2,1-2H3
InChIKeyFVNIQRQNPFKHKL-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.87
Rot. Bonds2

About 1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methyl]cyclohexene

1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methyl]cyclohexene (PubChem CID 23031272) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methyl]cyclohexene.

Molecular Properties

Compound Name1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methyl]cyclohexene
PubChem CID23031272
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methyl]cyclohexene
SMILESCC1=CCC(CC2CC=C(C)CC2)CC1
InChIInChI=1S/C15H24/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15/h3,5,14-15H,4,6-11H2,1-2H3
InChIKeyFVNIQRQNPFKHKL-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.87
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 1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methyl]cyclohexene?
The IUPAC name of 1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methyl]cyclohexene (CID 23031272) is 1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methyl]cyclohexene.
What is the SMILES notation for 1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methyl]cyclohexene?
The canonical SMILES for 1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methyl]cyclohexene is CC1=CCC(CC2CC=C(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methyl]cyclohexene?
The InChIKey is FVNIQRQNPFKHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15/h3,5,14-15H,4,6-11H2,1-2H3.
What are the key properties of 1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methyl]cyclohexene?
1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methyl]cyclohexene has a molecular weight of 204.36 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methyl]cyclohexene is sourced from PubChem (CID 23031272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).