cyclopent-2-yn-1-ylcyclohexane

C11H16 — CID 21224637

IUPACcyclopent-2-yn-1-ylcyclohexane
SMILESC1#CC(C2CCCCC2)CC1
InChIInChI=1S/C11H16/c1-2-6-10(7-3-1)11-8-4-5-9-11/h10-11H,1-4,6-8H2
InChIKeyZXFZCVVGZSSEQK-UHFFFAOYSA-N
MW148.25 g/mol
LogP2.98
Rot. Bonds1

About cyclopent-2-yn-1-ylcyclohexane

cyclopent-2-yn-1-ylcyclohexane (PubChem CID 21224637) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is cyclopent-2-yn-1-ylcyclohexane.

Molecular Properties

Compound Namecyclopent-2-yn-1-ylcyclohexane
PubChem CID21224637
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Namecyclopent-2-yn-1-ylcyclohexane
SMILESC1#CC(C2CCCCC2)CC1
InChIInChI=1S/C11H16/c1-2-6-10(7-3-1)11-8-4-5-9-11/h10-11H,1-4,6-8H2
InChIKeyZXFZCVVGZSSEQK-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopent-2-yn-1-ylcyclohexane?
The IUPAC name of cyclopent-2-yn-1-ylcyclohexane (CID 21224637) is cyclopent-2-yn-1-ylcyclohexane.
What is the SMILES notation for cyclopent-2-yn-1-ylcyclohexane?
The canonical SMILES for cyclopent-2-yn-1-ylcyclohexane is C1#CC(C2CCCCC2)CC1.
What is the InChIKey of cyclopent-2-yn-1-ylcyclohexane?
The InChIKey is ZXFZCVVGZSSEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-2-6-10(7-3-1)11-8-4-5-9-11/h10-11H,1-4,6-8H2.
What are the key properties of cyclopent-2-yn-1-ylcyclohexane?
cyclopent-2-yn-1-ylcyclohexane has a molecular weight of 148.25 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-2-yn-1-ylcyclohexane is sourced from PubChem (CID 21224637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).