oct-1-ynylphosphane

C8H15P — CID 21095686

IUPACoct-1-ynylphosphane
SMILESCCCCCCC#CP
InChIInChI=1S/C8H15P/c1-2-3-4-5-6-7-8-9/h2-6,9H2,1H3
InChIKeyDDOVSRRGCNRGIE-UHFFFAOYSA-N
MW142.18 g/mol
LogP2.79
Rot. Bonds4

About oct-1-ynylphosphane

oct-1-ynylphosphane (PubChem CID 21095686) has the molecular formula C8H15P and a molecular weight of 142.18 g/mol. Its IUPAC name is oct-1-ynylphosphane.

Molecular Properties

Compound Nameoct-1-ynylphosphane
PubChem CID21095686
Molecular FormulaC8H15P
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Nameoct-1-ynylphosphane
SMILESCCCCCCC#CP
InChIInChI=1S/C8H15P/c1-2-3-4-5-6-7-8-9/h2-6,9H2,1H3
InChIKeyDDOVSRRGCNRGIE-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 52.79
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'}

Analyze oct-1-ynylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oct-1-ynylphosphane?
The IUPAC name of oct-1-ynylphosphane (CID 21095686) is oct-1-ynylphosphane.
What is the SMILES notation for oct-1-ynylphosphane?
The canonical SMILES for oct-1-ynylphosphane is CCCCCCC#CP.
What is the InChIKey of oct-1-ynylphosphane?
The InChIKey is DDOVSRRGCNRGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15P/c1-2-3-4-5-6-7-8-9/h2-6,9H2,1H3.
What are the key properties of oct-1-ynylphosphane?
oct-1-ynylphosphane has a molecular weight of 142.18 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for oct-1-ynylphosphane is sourced from PubChem (CID 21095686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).