8-methylidenetridec-6-yne

C14H24 — CID 11745489

IUPAC8-methylidenetridec-6-yne
SMILESC=C(C#CCCCCC)CCCCC
InChIInChI=1S/C14H24/c1-4-6-8-9-11-13-14(3)12-10-7-5-2/h3-10,12H2,1-2H3
InChIKeyPKRMIYSVYNLKCW-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.71
Rot. Bonds7

About 8-methylidenetridec-6-yne

8-methylidenetridec-6-yne (PubChem CID 11745489) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 8-methylidenetridec-6-yne.

Molecular Properties

Compound Name8-methylidenetridec-6-yne
PubChem CID11745489
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name8-methylidenetridec-6-yne
SMILESC=C(C#CCCCCC)CCCCC
InChIInChI=1S/C14H24/c1-4-6-8-9-11-13-14(3)12-10-7-5-2/h3-10,12H2,1-2H3
InChIKeyPKRMIYSVYNLKCW-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 8-methylidenetridec-6-yne 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 8-methylidenetridec-6-yne?
The IUPAC name of 8-methylidenetridec-6-yne (CID 11745489) is 8-methylidenetridec-6-yne.
What is the SMILES notation for 8-methylidenetridec-6-yne?
The canonical SMILES for 8-methylidenetridec-6-yne is C=C(C#CCCCCC)CCCCC.
What is the InChIKey of 8-methylidenetridec-6-yne?
The InChIKey is PKRMIYSVYNLKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-4-6-8-9-11-13-14(3)12-10-7-5-2/h3-10,12H2,1-2H3.
What are the key properties of 8-methylidenetridec-6-yne?
8-methylidenetridec-6-yne has a molecular weight of 192.35 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylidenetridec-6-yne is sourced from PubChem (CID 11745489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).