1-propyl-1λ5-phosphinane 1-oxide

C8H17OP — CID 23117456

IUPAC1-propyl-1λ5-phosphinane 1-oxide
SMILESCCCP1(=O)CCCCC1
InChIInChI=1S/C8H17OP/c1-2-6-10(9)7-4-3-5-8-10/h2-8H2,1H3
InChIKeyGPKINTKOGZDSGL-UHFFFAOYSA-N
MW160.20 g/mol
LogP2.94
Rot. Bonds2

About 1-propyl-1λ5-phosphinane 1-oxide

1-propyl-1λ5-phosphinane 1-oxide (PubChem CID 23117456) has the molecular formula C8H17OP and a molecular weight of 160.20 g/mol. Its IUPAC name is 1-propyl-1λ5-phosphinane 1-oxide.

Molecular Properties

Compound Name1-propyl-1λ5-phosphinane 1-oxide
PubChem CID23117456
Molecular FormulaC8H17OP
Molecular Weight160.20 g/mol
Exact Mass160.10
IUPAC Name1-propyl-1λ5-phosphinane 1-oxide
SMILESCCCP1(=O)CCCCC1
InChIInChI=1S/C8H17OP/c1-2-6-10(9)7-4-3-5-8-10/h2-8H2,1H3
InChIKeyGPKINTKOGZDSGL-UHFFFAOYSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-propyl-1λ5-phosphinane 1-oxide?
The IUPAC name of 1-propyl-1λ5-phosphinane 1-oxide (CID 23117456) is 1-propyl-1λ5-phosphinane 1-oxide.
What is the SMILES notation for 1-propyl-1λ5-phosphinane 1-oxide?
The canonical SMILES for 1-propyl-1λ5-phosphinane 1-oxide is CCCP1(=O)CCCCC1.
What is the InChIKey of 1-propyl-1λ5-phosphinane 1-oxide?
The InChIKey is GPKINTKOGZDSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17OP/c1-2-6-10(9)7-4-3-5-8-10/h2-8H2,1H3.
What are the key properties of 1-propyl-1λ5-phosphinane 1-oxide?
1-propyl-1λ5-phosphinane 1-oxide has a molecular weight of 160.20 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-1λ5-phosphinane 1-oxide is sourced from PubChem (CID 23117456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).