1-dipropylphosphoryloxybutane

C10H23O2P — CID 23081685

IUPAC1-dipropylphosphoryloxybutane
SMILESCCCCOP(=O)(CCC)CCC
InChIInChI=1S/C10H23O2P/c1-4-7-8-12-13(11,9-5-2)10-6-3/h4-10H2,1-3H3
InChIKeyMGJKGKKAUKXOPR-UHFFFAOYSA-N
MW206.27 g/mol
LogP3.90
Rot. Bonds8

About 1-dipropylphosphoryloxybutane

1-dipropylphosphoryloxybutane (PubChem CID 23081685) has the molecular formula C10H23O2P and a molecular weight of 206.27 g/mol. Its IUPAC name is 1-dipropylphosphoryloxybutane.

Molecular Properties

Compound Name1-dipropylphosphoryloxybutane
PubChem CID23081685
Molecular FormulaC10H23O2P
Molecular Weight206.27 g/mol
Exact Mass206.14
IUPAC Name1-dipropylphosphoryloxybutane
SMILESCCCCOP(=O)(CCC)CCC
InChIInChI=1S/C10H23O2P/c1-4-7-8-12-13(11,9-5-2)10-6-3/h4-10H2,1-3H3
InChIKeyMGJKGKKAUKXOPR-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-dipropylphosphoryloxybutane 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-dipropylphosphoryloxybutane?
The IUPAC name of 1-dipropylphosphoryloxybutane (CID 23081685) is 1-dipropylphosphoryloxybutane.
What is the SMILES notation for 1-dipropylphosphoryloxybutane?
The canonical SMILES for 1-dipropylphosphoryloxybutane is CCCCOP(=O)(CCC)CCC.
What is the InChIKey of 1-dipropylphosphoryloxybutane?
The InChIKey is MGJKGKKAUKXOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O2P/c1-4-7-8-12-13(11,9-5-2)10-6-3/h4-10H2,1-3H3.
What are the key properties of 1-dipropylphosphoryloxybutane?
1-dipropylphosphoryloxybutane has a molecular weight of 206.27 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dipropylphosphoryloxybutane is sourced from PubChem (CID 23081685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).