bis(pent-1-ynyl)phosphane

C10H15P — CID 21096758

IUPACbis(pent-1-ynyl)phosphane
SMILESCCCC#CPC#CCCC
InChIInChI=1S/C10H15P/c1-3-5-7-9-11-10-8-6-4-2/h11H,3-6H2,1-2H3
InChIKeyMGYCAYZUFVNWLA-UHFFFAOYSA-N
MW166.20 g/mol
LogP3.19
Rot. Bonds2

About bis(pent-1-ynyl)phosphane

bis(pent-1-ynyl)phosphane (PubChem CID 21096758) has the molecular formula C10H15P and a molecular weight of 166.20 g/mol. Its IUPAC name is bis(pent-1-ynyl)phosphane.

Molecular Properties

Compound Namebis(pent-1-ynyl)phosphane
PubChem CID21096758
Molecular FormulaC10H15P
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Namebis(pent-1-ynyl)phosphane
SMILESCCCC#CPC#CCCC
InChIInChI=1S/C10H15P/c1-3-5-7-9-11-10-8-6-4-2/h11H,3-6H2,1-2H3
InChIKeyMGYCAYZUFVNWLA-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 bis(pent-1-ynyl)phosphane?
The IUPAC name of bis(pent-1-ynyl)phosphane (CID 21096758) is bis(pent-1-ynyl)phosphane.
What is the SMILES notation for bis(pent-1-ynyl)phosphane?
The canonical SMILES for bis(pent-1-ynyl)phosphane is CCCC#CPC#CCCC.
What is the InChIKey of bis(pent-1-ynyl)phosphane?
The InChIKey is MGYCAYZUFVNWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15P/c1-3-5-7-9-11-10-8-6-4-2/h11H,3-6H2,1-2H3.
What are the key properties of bis(pent-1-ynyl)phosphane?
bis(pent-1-ynyl)phosphane has a molecular weight of 166.20 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(pent-1-ynyl)phosphane is sourced from PubChem (CID 21096758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).