1-butylphosphinane

C9H19P — CID 15608183

IUPAC1-butylphosphinane
SMILESCCCCP1CCCCC1
InChIInChI=1S/C9H19P/c1-2-3-7-10-8-5-4-6-9-10/h2-9H2,1H3
InChIKeySUFLAGNMNCBHRT-UHFFFAOYSA-N
MW158.22 g/mol
LogP3.45
Rot. Bonds3

About 1-butylphosphinane

1-butylphosphinane (PubChem CID 15608183) has the molecular formula C9H19P and a molecular weight of 158.22 g/mol. Its IUPAC name is 1-butylphosphinane.

Molecular Properties

Compound Name1-butylphosphinane
PubChem CID15608183
Molecular FormulaC9H19P
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name1-butylphosphinane
SMILESCCCCP1CCCCC1
InChIInChI=1S/C9H19P/c1-2-3-7-10-8-5-4-6-9-10/h2-9H2,1H3
InChIKeySUFLAGNMNCBHRT-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 53.45
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-butylphosphinane?
The IUPAC name of 1-butylphosphinane (CID 15608183) is 1-butylphosphinane.
What is the SMILES notation for 1-butylphosphinane?
The canonical SMILES for 1-butylphosphinane is CCCCP1CCCCC1.
What is the InChIKey of 1-butylphosphinane?
The InChIKey is SUFLAGNMNCBHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19P/c1-2-3-7-10-8-5-4-6-9-10/h2-9H2,1H3.
What are the key properties of 1-butylphosphinane?
1-butylphosphinane has a molecular weight of 158.22 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylphosphinane is sourced from PubChem (CID 15608183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).