but-1-ynylcyclohexane

C10H16 — CID 11320961

IUPACbut-1-ynylcyclohexane
SMILESCCC#CC1CCCCC1
InChIInChI=1S/C10H16/c1-2-3-7-10-8-5-4-6-9-10/h10H,2,4-6,8-9H2,1H3
InChIKeyKSPLOOKXNGXEKI-UHFFFAOYSA-N
MW136.24 g/mol
LogP2.98
Rot. Bonds

About but-1-ynylcyclohexane

but-1-ynylcyclohexane (PubChem CID 11320961) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is but-1-ynylcyclohexane.

Molecular Properties

Compound Namebut-1-ynylcyclohexane
PubChem CID11320961
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Namebut-1-ynylcyclohexane
SMILESCCC#CC1CCCCC1
InChIInChI=1S/C10H16/c1-2-3-7-10-8-5-4-6-9-10/h10H,2,4-6,8-9H2,1H3
InChIKeyKSPLOOKXNGXEKI-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
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 but-1-ynylcyclohexane?
The IUPAC name of but-1-ynylcyclohexane (CID 11320961) is but-1-ynylcyclohexane.
What is the SMILES notation for but-1-ynylcyclohexane?
The canonical SMILES for but-1-ynylcyclohexane is CCC#CC1CCCCC1.
What is the InChIKey of but-1-ynylcyclohexane?
The InChIKey is KSPLOOKXNGXEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-2-3-7-10-8-5-4-6-9-10/h10H,2,4-6,8-9H2,1H3.
What are the key properties of but-1-ynylcyclohexane?
but-1-ynylcyclohexane has a molecular weight of 136.24 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ynylcyclohexane is sourced from PubChem (CID 11320961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).