3-ethylpentan-3-ylphosphanide

C7H16P- — CID 13330846

IUPAC3-ethylpentan-3-ylphosphanide
SMILESCCC([PH-])(CC)CC
InChIInChI=1S/C7H16P/c1-4-7(8,5-2)6-3/h8H,4-6H2,1-3H3/q-1
InChIKeyZEMJTNLJVGKGMV-UHFFFAOYSA-N
MW131.18 g/mol
LogP3.10
Rot. Bonds3

About 3-ethylpentan-3-ylphosphanide

3-ethylpentan-3-ylphosphanide (PubChem CID 13330846) has the molecular formula C7H16P- and a molecular weight of 131.18 g/mol. Its IUPAC name is 3-ethylpentan-3-ylphosphanide.

Molecular Properties

Compound Name3-ethylpentan-3-ylphosphanide
PubChem CID13330846
Molecular FormulaC7H16P-
Molecular Weight131.18 g/mol
Exact Mass131.10
IUPAC Name3-ethylpentan-3-ylphosphanide
SMILESCCC([PH-])(CC)CC
InChIInChI=1S/C7H16P/c1-4-7(8,5-2)6-3/h8H,4-6H2,1-3H3/q-1
InChIKeyZEMJTNLJVGKGMV-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethylpentan-3-ylphosphanide?
The IUPAC name of 3-ethylpentan-3-ylphosphanide (CID 13330846) is 3-ethylpentan-3-ylphosphanide.
What is the SMILES notation for 3-ethylpentan-3-ylphosphanide?
The canonical SMILES for 3-ethylpentan-3-ylphosphanide is CCC([PH-])(CC)CC.
What is the InChIKey of 3-ethylpentan-3-ylphosphanide?
The InChIKey is ZEMJTNLJVGKGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16P/c1-4-7(8,5-2)6-3/h8H,4-6H2,1-3H3/q-1.
What are the key properties of 3-ethylpentan-3-ylphosphanide?
3-ethylpentan-3-ylphosphanide has a molecular weight of 131.18 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpentan-3-ylphosphanide is sourced from PubChem (CID 13330846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).