but-3-yn-2-ylcyclohexane

C10H16 — CID 54488815

IUPACbut-3-yn-2-ylcyclohexane
SMILESC#CC(C)C1CCCCC1
InChIInChI=1S/C10H16/c1-3-9(2)10-7-5-4-6-8-10/h1,9-10H,4-8H2,2H3
InChIKeyJIXMCUJGRXYFNF-UHFFFAOYSA-N
MW136.24 g/mol
LogP2.84
Rot. Bonds1

About but-3-yn-2-ylcyclohexane

but-3-yn-2-ylcyclohexane (PubChem CID 54488815) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is but-3-yn-2-ylcyclohexane.

Molecular Properties

Compound Namebut-3-yn-2-ylcyclohexane
PubChem CID54488815
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Namebut-3-yn-2-ylcyclohexane
SMILESC#CC(C)C1CCCCC1
InChIInChI=1S/C10H16/c1-3-9(2)10-7-5-4-6-8-10/h1,9-10H,4-8H2,2H3
InChIKeyJIXMCUJGRXYFNF-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 52.84
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 but-3-yn-2-ylcyclohexane?
The IUPAC name of but-3-yn-2-ylcyclohexane (CID 54488815) is but-3-yn-2-ylcyclohexane.
What is the SMILES notation for but-3-yn-2-ylcyclohexane?
The canonical SMILES for but-3-yn-2-ylcyclohexane is C#CC(C)C1CCCCC1.
What is the InChIKey of but-3-yn-2-ylcyclohexane?
The InChIKey is JIXMCUJGRXYFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-3-9(2)10-7-5-4-6-8-10/h1,9-10H,4-8H2,2H3.
What are the key properties of but-3-yn-2-ylcyclohexane?
but-3-yn-2-ylcyclohexane has a molecular weight of 136.24 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-yn-2-ylcyclohexane is sourced from PubChem (CID 54488815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).