ethyl(hexyl)phosphane

C8H19P — CID 16689355

IUPACethyl(hexyl)phosphane
SMILESCCCCCCPCC
InChIInChI=1S/C8H19P/c1-3-5-6-7-8-9-4-2/h9H,3-8H2,1-2H3
InChIKeyISSCHPHYBDRMCW-UHFFFAOYSA-N
MW146.21 g/mol
LogP3.27
Rot. Bonds6

About ethyl(hexyl)phosphane

ethyl(hexyl)phosphane (PubChem CID 16689355) has the molecular formula C8H19P and a molecular weight of 146.21 g/mol. Its IUPAC name is ethyl(hexyl)phosphane.

Molecular Properties

Compound Nameethyl(hexyl)phosphane
PubChem CID16689355
Molecular FormulaC8H19P
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Nameethyl(hexyl)phosphane
SMILESCCCCCCPCC
InChIInChI=1S/C8H19P/c1-3-5-6-7-8-9-4-2/h9H,3-8H2,1-2H3
InChIKeyISSCHPHYBDRMCW-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 53.27
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'}

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Frequently Asked Questions

What is the IUPAC name of ethyl(hexyl)phosphane?
The IUPAC name of ethyl(hexyl)phosphane (CID 16689355) is ethyl(hexyl)phosphane.
What is the SMILES notation for ethyl(hexyl)phosphane?
The canonical SMILES for ethyl(hexyl)phosphane is CCCCCCPCC.
What is the InChIKey of ethyl(hexyl)phosphane?
The InChIKey is ISSCHPHYBDRMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19P/c1-3-5-6-7-8-9-4-2/h9H,3-8H2,1-2H3.
What are the key properties of ethyl(hexyl)phosphane?
ethyl(hexyl)phosphane has a molecular weight of 146.21 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(hexyl)phosphane is sourced from PubChem (CID 16689355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).