pent-4-ynylcyclohexane

C11H18 — CID 15172912

IUPACpent-4-ynylcyclohexane
SMILESC#CCCCC1CCCCC1
InChIInChI=1S/C11H18/c1-2-3-5-8-11-9-6-4-7-10-11/h1,11H,3-10H2
InChIKeyRZBWOCFHDCCGNK-UHFFFAOYSA-N
MW150.27 g/mol
LogP3.37
Rot. Bonds3

About pent-4-ynylcyclohexane

pent-4-ynylcyclohexane (PubChem CID 15172912) has the molecular formula C11H18 and a molecular weight of 150.27 g/mol. Its IUPAC name is pent-4-ynylcyclohexane.

Molecular Properties

Compound Namepent-4-ynylcyclohexane
PubChem CID15172912
Molecular FormulaC11H18
Molecular Weight150.27 g/mol
Exact Mass150.14
IUPAC Namepent-4-ynylcyclohexane
SMILESC#CCCCC1CCCCC1
InChIInChI=1S/C11H18/c1-2-3-5-8-11-9-6-4-7-10-11/h1,11H,3-10H2
InChIKeyRZBWOCFHDCCGNK-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 53.37
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 pent-4-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-4-ynylcyclohexane?
The IUPAC name of pent-4-ynylcyclohexane (CID 15172912) is pent-4-ynylcyclohexane.
What is the SMILES notation for pent-4-ynylcyclohexane?
The canonical SMILES for pent-4-ynylcyclohexane is C#CCCCC1CCCCC1.
What is the InChIKey of pent-4-ynylcyclohexane?
The InChIKey is RZBWOCFHDCCGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-2-3-5-8-11-9-6-4-7-10-11/h1,11H,3-10H2.
What are the key properties of pent-4-ynylcyclohexane?
pent-4-ynylcyclohexane has a molecular weight of 150.27 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pent-4-ynylcyclohexane is sourced from PubChem (CID 15172912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).