1-methyl-4-(6-methylhepta-2,4-dien-2-yl)cyclohexene

C15H24 — CID 73184988

IUPAC1-methyl-4-(6-methylhepta-2,4-dien-2-yl)cyclohexene
SMILESCC1=CCC(C(C)=CC=CC(C)C)CC1
InChIInChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h5-8,12,15H,9-11H2,1-4H3
InChIKeyWXWQKQLBNJNMPB-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.89
Rot. Bonds3

About 1-methyl-4-(6-methylhepta-2,4-dien-2-yl)cyclohexene

1-methyl-4-(6-methylhepta-2,4-dien-2-yl)cyclohexene (PubChem CID 73184988) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1-methyl-4-(6-methylhepta-2,4-dien-2-yl)cyclohexene.

Molecular Properties

Compound Name1-methyl-4-(6-methylhepta-2,4-dien-2-yl)cyclohexene
PubChem CID73184988
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1-methyl-4-(6-methylhepta-2,4-dien-2-yl)cyclohexene
SMILESCC1=CCC(C(C)=CC=CC(C)C)CC1
InChIInChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h5-8,12,15H,9-11H2,1-4H3
InChIKeyWXWQKQLBNJNMPB-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(6-methylhepta-2,4-dien-2-yl)cyclohexene?
The IUPAC name of 1-methyl-4-(6-methylhepta-2,4-dien-2-yl)cyclohexene (CID 73184988) is 1-methyl-4-(6-methylhepta-2,4-dien-2-yl)cyclohexene.
What is the SMILES notation for 1-methyl-4-(6-methylhepta-2,4-dien-2-yl)cyclohexene?
The canonical SMILES for 1-methyl-4-(6-methylhepta-2,4-dien-2-yl)cyclohexene is CC1=CCC(C(C)=CC=CC(C)C)CC1.
What is the InChIKey of 1-methyl-4-(6-methylhepta-2,4-dien-2-yl)cyclohexene?
The InChIKey is WXWQKQLBNJNMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h5-8,12,15H,9-11H2,1-4H3.
What are the key properties of 1-methyl-4-(6-methylhepta-2,4-dien-2-yl)cyclohexene?
1-methyl-4-(6-methylhepta-2,4-dien-2-yl)cyclohexene has a molecular weight of 204.36 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(6-methylhepta-2,4-dien-2-yl)cyclohexene is sourced from PubChem (CID 73184988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).