1-methyl-4-[(E)-3-methylhept-1-enyl]cyclohexane

C15H28 — CID 144959741

IUPAC1-methyl-4-[(E)-3-methylhept-1-enyl]cyclohexane
SMILESCCCCC(C)/C=C/C1CCC(C)CC1
InChIInChI=1S/C15H28/c1-4-5-6-13(2)7-10-15-11-8-14(3)9-12-15/h7,10,13-15H,4-6,8-9,11-12H2,1-3H3/b10-7+
InChIKeyUGVHJVQOHMCTJN-JXMROGBWSA-N
MW208.39 g/mol
LogP5.20
Rot. Bonds5

About 1-methyl-4-[(E)-3-methylhept-1-enyl]cyclohexane

1-methyl-4-[(E)-3-methylhept-1-enyl]cyclohexane (PubChem CID 144959741) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1-methyl-4-[(E)-3-methylhept-1-enyl]cyclohexane.

Molecular Properties

Compound Name1-methyl-4-[(E)-3-methylhept-1-enyl]cyclohexane
PubChem CID144959741
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1-methyl-4-[(E)-3-methylhept-1-enyl]cyclohexane
SMILESCCCCC(C)/C=C/C1CCC(C)CC1
InChIInChI=1S/C15H28/c1-4-5-6-13(2)7-10-15-11-8-14(3)9-12-15/h7,10,13-15H,4-6,8-9,11-12H2,1-3H3/b10-7+
InChIKeyUGVHJVQOHMCTJN-JXMROGBWSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyl-4-[(E)-3-methylhept-1-enyl]cyclohexane 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-4-[(E)-3-methylhept-1-enyl]cyclohexane?
The IUPAC name of 1-methyl-4-[(E)-3-methylhept-1-enyl]cyclohexane (CID 144959741) is 1-methyl-4-[(E)-3-methylhept-1-enyl]cyclohexane.
What is the SMILES notation for 1-methyl-4-[(E)-3-methylhept-1-enyl]cyclohexane?
The canonical SMILES for 1-methyl-4-[(E)-3-methylhept-1-enyl]cyclohexane is CCCCC(C)/C=C/C1CCC(C)CC1.
What is the InChIKey of 1-methyl-4-[(E)-3-methylhept-1-enyl]cyclohexane?
The InChIKey is UGVHJVQOHMCTJN-JXMROGBWSA-N. The full InChI is InChI=1S/C15H28/c1-4-5-6-13(2)7-10-15-11-8-14(3)9-12-15/h7,10,13-15H,4-6,8-9,11-12H2,1-3H3/b10-7+.
What are the key properties of 1-methyl-4-[(E)-3-methylhept-1-enyl]cyclohexane?
1-methyl-4-[(E)-3-methylhept-1-enyl]cyclohexane has a molecular weight of 208.39 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-3-methylhept-1-enyl]cyclohexane is sourced from PubChem (CID 144959741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).