1-propylphosphinane

C8H17P — CID 14178412

IUPAC1-propylphosphinane
SMILESCCCP1CCCCC1
InChIInChI=1S/C8H17P/c1-2-6-9-7-4-3-5-8-9/h2-8H2,1H3
InChIKeyLHQYPQFGWOVTCF-UHFFFAOYSA-N
MW144.20 g/mol
LogP3.06
Rot. Bonds2

About 1-propylphosphinane

1-propylphosphinane (PubChem CID 14178412) has the molecular formula C8H17P and a molecular weight of 144.20 g/mol. Its IUPAC name is 1-propylphosphinane.

Molecular Properties

Compound Name1-propylphosphinane
PubChem CID14178412
Molecular FormulaC8H17P
Molecular Weight144.20 g/mol
Exact Mass144.11
IUPAC Name1-propylphosphinane
SMILESCCCP1CCCCC1
InChIInChI=1S/C8H17P/c1-2-6-9-7-4-3-5-8-9/h2-8H2,1H3
InChIKeyLHQYPQFGWOVTCF-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 53.06
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 1-propylphosphinane?
The IUPAC name of 1-propylphosphinane (CID 14178412) is 1-propylphosphinane.
What is the SMILES notation for 1-propylphosphinane?
The canonical SMILES for 1-propylphosphinane is CCCP1CCCCC1.
What is the InChIKey of 1-propylphosphinane?
The InChIKey is LHQYPQFGWOVTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17P/c1-2-6-9-7-4-3-5-8-9/h2-8H2,1H3.
What are the key properties of 1-propylphosphinane?
1-propylphosphinane has a molecular weight of 144.20 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylphosphinane is sourced from PubChem (CID 14178412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).