but-2-ynylidenecyclohexane

C10H14 — CID 14565315

IUPACbut-2-ynylidenecyclohexane
SMILESCC#CC=C1CCCCC1
InChIInChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h7H,4-6,8-9H2,1H3
InChIKeyVIXSEHLKFBCFDK-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.90
Rot. Bonds

About but-2-ynylidenecyclohexane

but-2-ynylidenecyclohexane (PubChem CID 14565315) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is but-2-ynylidenecyclohexane.

Molecular Properties

Compound Namebut-2-ynylidenecyclohexane
PubChem CID14565315
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Namebut-2-ynylidenecyclohexane
SMILESCC#CC=C1CCCCC1
InChIInChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h7H,4-6,8-9H2,1H3
InChIKeyVIXSEHLKFBCFDK-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.90
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-2-ynylidenecyclohexane?
The IUPAC name of but-2-ynylidenecyclohexane (CID 14565315) is but-2-ynylidenecyclohexane.
What is the SMILES notation for but-2-ynylidenecyclohexane?
The canonical SMILES for but-2-ynylidenecyclohexane is CC#CC=C1CCCCC1.
What is the InChIKey of but-2-ynylidenecyclohexane?
The InChIKey is VIXSEHLKFBCFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h7H,4-6,8-9H2,1H3.
What are the key properties of but-2-ynylidenecyclohexane?
but-2-ynylidenecyclohexane has a molecular weight of 134.22 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-ynylidenecyclohexane is sourced from PubChem (CID 14565315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).