pent-1-ynylcyclohexane

C11H18 — CID 548956

IUPACpent-1-ynylcyclohexane
SMILESCCCC#CC1CCCCC1
InChIInChI=1S/C11H18/c1-2-3-5-8-11-9-6-4-7-10-11/h11H,2-4,6-7,9-10H2,1H3
InChIKeyFUKDIOJYNWYKQB-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.37
Rot. Bonds1

About pent-1-ynylcyclohexane

pent-1-ynylcyclohexane (PubChem CID 548956) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is pent-1-ynylcyclohexane.

Molecular Properties

Compound Namepent-1-ynylcyclohexane
PubChem CID548956
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Namepent-1-ynylcyclohexane
SMILESCCCC#CC1CCCCC1
InChIInChI=1S/C11H18/c1-2-3-5-8-11-9-6-4-7-10-11/h11H,2-4,6-7,9-10H2,1H3
InChIKeyFUKDIOJYNWYKQB-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze pent-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 pent-1-ynylcyclohexane?
The IUPAC name of pent-1-ynylcyclohexane (CID 548956) is pent-1-ynylcyclohexane.
What is the SMILES notation for pent-1-ynylcyclohexane?
The canonical SMILES for pent-1-ynylcyclohexane is CCCC#CC1CCCCC1.
What is the InChIKey of pent-1-ynylcyclohexane?
The InChIKey is FUKDIOJYNWYKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-2-3-5-8-11-9-6-4-7-10-11/h11H,2-4,6-7,9-10H2,1H3.
What are the key properties of pent-1-ynylcyclohexane?
pent-1-ynylcyclohexane has a molecular weight of 150.26 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pent-1-ynylcyclohexane is sourced from PubChem (CID 548956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).