1-butyl-3-methyl-2,5-dihydrophosphole

C9H17P — CID 134862414

IUPAC1-butyl-3-methyl-2,5-dihydrophosphole
SMILESCCCCP1CC=C(C)C1
InChIInChI=1S/C9H17P/c1-3-4-6-10-7-5-9(2)8-10/h5H,3-4,6-8H2,1-2H3
InChIKeyBDSBRJAUJZVSMZ-UHFFFAOYSA-N
MW156.21 g/mol
LogP3.23
Rot. Bonds3

About 1-butyl-3-methyl-2,5-dihydrophosphole

1-butyl-3-methyl-2,5-dihydrophosphole (PubChem CID 134862414) has the molecular formula C9H17P and a molecular weight of 156.21 g/mol. Its IUPAC name is 1-butyl-3-methyl-2,5-dihydrophosphole.

Molecular Properties

Compound Name1-butyl-3-methyl-2,5-dihydrophosphole
PubChem CID134862414
Molecular FormulaC9H17P
Molecular Weight156.21 g/mol
Exact Mass156.11
IUPAC Name1-butyl-3-methyl-2,5-dihydrophosphole
SMILESCCCCP1CC=C(C)C1
InChIInChI=1S/C9H17P/c1-3-4-6-10-7-5-9(2)8-10/h5H,3-4,6-8H2,1-2H3
InChIKeyBDSBRJAUJZVSMZ-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-butyl-3-methyl-2,5-dihydrophosphole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-2,5-dihydrophosphole?
The IUPAC name of 1-butyl-3-methyl-2,5-dihydrophosphole (CID 134862414) is 1-butyl-3-methyl-2,5-dihydrophosphole.
What is the SMILES notation for 1-butyl-3-methyl-2,5-dihydrophosphole?
The canonical SMILES for 1-butyl-3-methyl-2,5-dihydrophosphole is CCCCP1CC=C(C)C1.
What is the InChIKey of 1-butyl-3-methyl-2,5-dihydrophosphole?
The InChIKey is BDSBRJAUJZVSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17P/c1-3-4-6-10-7-5-9(2)8-10/h5H,3-4,6-8H2,1-2H3.
What are the key properties of 1-butyl-3-methyl-2,5-dihydrophosphole?
1-butyl-3-methyl-2,5-dihydrophosphole has a molecular weight of 156.21 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-2,5-dihydrophosphole is sourced from PubChem (CID 134862414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).