1-propan-2-ylphosphinane

C8H17P — CID 15608185

IUPAC1-propan-2-ylphosphinane
SMILESCC(C)P1CCCCC1
InChIInChI=1S/C8H17P/c1-8(2)9-6-4-3-5-7-9/h8H,3-7H2,1-2H3
InChIKeyOJOIPYGGLAIDJH-UHFFFAOYSA-N
MW144.20 g/mol
LogP3.06
Rot. Bonds1

About 1-propan-2-ylphosphinane

1-propan-2-ylphosphinane (PubChem CID 15608185) has the molecular formula C8H17P and a molecular weight of 144.20 g/mol. Its IUPAC name is 1-propan-2-ylphosphinane.

Molecular Properties

Compound Name1-propan-2-ylphosphinane
PubChem CID15608185
Molecular FormulaC8H17P
Molecular Weight144.20 g/mol
Exact Mass144.11
IUPAC Name1-propan-2-ylphosphinane
SMILESCC(C)P1CCCCC1
InChIInChI=1S/C8H17P/c1-8(2)9-6-4-3-5-7-9/h8H,3-7H2,1-2H3
InChIKeyOJOIPYGGLAIDJH-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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'}

Analyze 1-propan-2-ylphosphinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methylphosphinane
CID 637962
InChI=1/C8H17P/c1-9(2)8-6-4-3-5-7-8/h8H,3-7H2,1-2H
CID 5323725
Butan-2-yl(dipentyl)phosphane
CID 14121817
Cyclohexyl(dipropyl)phosphane
CID 14322920
Triethylpentylphosphine
CID 18769294
n-Tributylphosphane
CID 129868844
1,1-Dimethylphosphinan-1-ium
CID 357582
1-Ethylphosphoranine
CID 643545
1-Methyl-1-methylidene-1lambda5-phosphinane
CID 12477938
6lambda5-Phosphaspiro[5.5]undec-5-ene
CID 12647794
1-Tert-butylphosphinane
CID 15608187
Cyclohexyl(trimethyl)phosphanium
CID 18355932

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylphosphinane?
The IUPAC name of 1-propan-2-ylphosphinane (CID 15608185) is 1-propan-2-ylphosphinane.
What is the SMILES notation for 1-propan-2-ylphosphinane?
The canonical SMILES for 1-propan-2-ylphosphinane is CC(C)P1CCCCC1.
What is the InChIKey of 1-propan-2-ylphosphinane?
The InChIKey is OJOIPYGGLAIDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17P/c1-8(2)9-6-4-3-5-7-9/h8H,3-7H2,1-2H3.
What are the key properties of 1-propan-2-ylphosphinane?
1-propan-2-ylphosphinane has a molecular weight of 144.20 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylphosphinane is sourced from PubChem (CID 15608185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).