1-methyl-2-(5-methylhex-3-en-2-yl)cyclobutane

C12H22 — CID 123373776

IUPAC1-methyl-2-(5-methylhex-3-en-2-yl)cyclobutane
SMILESCC(C)C=CC(C)C1CCC1C
InChIInChI=1S/C12H22/c1-9(2)5-6-10(3)12-8-7-11(12)4/h5-6,9-12H,7-8H2,1-4H3
InChIKeyAYLVMWHIANROMR-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.88
Rot. Bonds3

About 1-methyl-2-(5-methylhex-3-en-2-yl)cyclobutane

1-methyl-2-(5-methylhex-3-en-2-yl)cyclobutane (PubChem CID 123373776) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1-methyl-2-(5-methylhex-3-en-2-yl)cyclobutane.

Molecular Properties

Compound Name1-methyl-2-(5-methylhex-3-en-2-yl)cyclobutane
PubChem CID123373776
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1-methyl-2-(5-methylhex-3-en-2-yl)cyclobutane
SMILESCC(C)C=CC(C)C1CCC1C
InChIInChI=1S/C12H22/c1-9(2)5-6-10(3)12-8-7-11(12)4/h5-6,9-12H,7-8H2,1-4H3
InChIKeyAYLVMWHIANROMR-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyl-2-(5-methylhex-3-en-2-yl)cyclobutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(5-methylhex-3-en-2-yl)cyclobutane?
The IUPAC name of 1-methyl-2-(5-methylhex-3-en-2-yl)cyclobutane (CID 123373776) is 1-methyl-2-(5-methylhex-3-en-2-yl)cyclobutane.
What is the SMILES notation for 1-methyl-2-(5-methylhex-3-en-2-yl)cyclobutane?
The canonical SMILES for 1-methyl-2-(5-methylhex-3-en-2-yl)cyclobutane is CC(C)C=CC(C)C1CCC1C.
What is the InChIKey of 1-methyl-2-(5-methylhex-3-en-2-yl)cyclobutane?
The InChIKey is AYLVMWHIANROMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-9(2)5-6-10(3)12-8-7-11(12)4/h5-6,9-12H,7-8H2,1-4H3.
What are the key properties of 1-methyl-2-(5-methylhex-3-en-2-yl)cyclobutane?
1-methyl-2-(5-methylhex-3-en-2-yl)cyclobutane has a molecular weight of 166.31 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(5-methylhex-3-en-2-yl)cyclobutane is sourced from PubChem (CID 123373776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).