oct-1-ynylcyclohexane

C14H24 — CID 11127116

IUPACoct-1-ynylcyclohexane
SMILESCCCCCCC#CC1CCCCC1
InChIInChI=1S/C14H24/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h14H,2-7,9-10,12-13H2,1H3
InChIKeySJKKOXPYHQYVHS-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.54
Rot. Bonds4

About oct-1-ynylcyclohexane

oct-1-ynylcyclohexane (PubChem CID 11127116) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is oct-1-ynylcyclohexane.

Molecular Properties

Compound Nameoct-1-ynylcyclohexane
PubChem CID11127116
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Nameoct-1-ynylcyclohexane
SMILESCCCCCCC#CC1CCCCC1
InChIInChI=1S/C14H24/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h14H,2-7,9-10,12-13H2,1H3
InChIKeySJKKOXPYHQYVHS-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.54
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 oct-1-ynylcyclohexane 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 oct-1-ynylcyclohexane?
The IUPAC name of oct-1-ynylcyclohexane (CID 11127116) is oct-1-ynylcyclohexane.
What is the SMILES notation for oct-1-ynylcyclohexane?
The canonical SMILES for oct-1-ynylcyclohexane is CCCCCCC#CC1CCCCC1.
What is the InChIKey of oct-1-ynylcyclohexane?
The InChIKey is SJKKOXPYHQYVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h14H,2-7,9-10,12-13H2,1H3.
What are the key properties of oct-1-ynylcyclohexane?
oct-1-ynylcyclohexane has a molecular weight of 192.35 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for oct-1-ynylcyclohexane is sourced from PubChem (CID 11127116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).