but-3-ynyl(cyclohexyl)phosphane

C10H17P — CID 101427052

IUPACbut-3-ynyl(cyclohexyl)phosphane
SMILESC#CCCPC1CCCCC1
InChIInChI=1S/C10H17P/c1-2-3-9-11-10-7-5-4-6-8-10/h1,10-11H,3-9H2
InChIKeyLJGGDIIFSXQDQM-UHFFFAOYSA-N
MW168.22 g/mol
LogP3.02
Rot. Bonds3

About but-3-ynyl(cyclohexyl)phosphane

but-3-ynyl(cyclohexyl)phosphane (PubChem CID 101427052) has the molecular formula C10H17P and a molecular weight of 168.22 g/mol. Its IUPAC name is but-3-ynyl(cyclohexyl)phosphane.

Molecular Properties

Compound Namebut-3-ynyl(cyclohexyl)phosphane
PubChem CID101427052
Molecular FormulaC10H17P
Molecular Weight168.22 g/mol
Exact Mass168.11
IUPAC Namebut-3-ynyl(cyclohexyl)phosphane
SMILESC#CCCPC1CCCCC1
InChIInChI=1S/C10H17P/c1-2-3-9-11-10-7-5-4-6-8-10/h1,10-11H,3-9H2
InChIKeyLJGGDIIFSXQDQM-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-3-ynyl(cyclohexyl)phosphane?
The IUPAC name of but-3-ynyl(cyclohexyl)phosphane (CID 101427052) is but-3-ynyl(cyclohexyl)phosphane.
What is the SMILES notation for but-3-ynyl(cyclohexyl)phosphane?
The canonical SMILES for but-3-ynyl(cyclohexyl)phosphane is C#CCCPC1CCCCC1.
What is the InChIKey of but-3-ynyl(cyclohexyl)phosphane?
The InChIKey is LJGGDIIFSXQDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17P/c1-2-3-9-11-10-7-5-4-6-8-10/h1,10-11H,3-9H2.
What are the key properties of but-3-ynyl(cyclohexyl)phosphane?
but-3-ynyl(cyclohexyl)phosphane has a molecular weight of 168.22 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-ynyl(cyclohexyl)phosphane is sourced from PubChem (CID 101427052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).