1-methylcyclohexadeca-1,2-diene

C17H30 — CID 10879076

IUPAC1-methylcyclohexadeca-1,2-diene
SMILESCC1=C=CCCCCCCCCCCCCC1
InChIInChI=1S/C17H30/c1-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-17/h13H,2-12,14,16H2,1H3
InChIKeyXKBYQZYTWZUUAP-UHFFFAOYSA-N
MW234.43 g/mol
LogP6.17
Rot. Bonds

About 1-methylcyclohexadeca-1,2-diene

1-methylcyclohexadeca-1,2-diene (PubChem CID 10879076) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 1-methylcyclohexadeca-1,2-diene.

Molecular Properties

Compound Name1-methylcyclohexadeca-1,2-diene
PubChem CID10879076
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name1-methylcyclohexadeca-1,2-diene
SMILESCC1=C=CCCCCCCCCCCCCC1
InChIInChI=1S/C17H30/c1-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-17/h13H,2-12,14,16H2,1H3
InChIKeyXKBYQZYTWZUUAP-UHFFFAOYSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-methylcyclohexadeca-1,2-diene 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-methylcyclohexadeca-1,2-diene?
The IUPAC name of 1-methylcyclohexadeca-1,2-diene (CID 10879076) is 1-methylcyclohexadeca-1,2-diene.
What is the SMILES notation for 1-methylcyclohexadeca-1,2-diene?
The canonical SMILES for 1-methylcyclohexadeca-1,2-diene is CC1=C=CCCCCCCCCCCCCC1.
What is the InChIKey of 1-methylcyclohexadeca-1,2-diene?
The InChIKey is XKBYQZYTWZUUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-17/h13H,2-12,14,16H2,1H3.
What are the key properties of 1-methylcyclohexadeca-1,2-diene?
1-methylcyclohexadeca-1,2-diene has a molecular weight of 234.43 g/mol, XLogP of 6.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclohexadeca-1,2-diene is sourced from PubChem (CID 10879076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).