dibutyl(trihydroxy)-λ5-phosphane

C8H21O3P — CID 57270779

IUPACdibutyl(trihydroxy)-λ5-phosphane
SMILESCCCCP(O)(O)(O)CCCC
InChIInChI=1S/C8H21O3P/c1-3-5-7-12(9,10,11)8-6-4-2/h9-11H,3-8H2,1-2H3
InChIKeyWLUODQDXJNAOEQ-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.86
Rot. Bonds6

About dibutyl(trihydroxy)-λ5-phosphane

dibutyl(trihydroxy)-λ5-phosphane (PubChem CID 57270779) has the molecular formula C8H21O3P and a molecular weight of 196.23 g/mol. Its IUPAC name is dibutyl(trihydroxy)-λ5-phosphane.

Molecular Properties

Compound Namedibutyl(trihydroxy)-λ5-phosphane
PubChem CID57270779
Molecular FormulaC8H21O3P
Molecular Weight196.23 g/mol
Exact Mass196.12
IUPAC Namedibutyl(trihydroxy)-λ5-phosphane
SMILESCCCCP(O)(O)(O)CCCC
InChIInChI=1S/C8H21O3P/c1-3-5-7-12(9,10,11)8-6-4-2/h9-11H,3-8H2,1-2H3
InChIKeyWLUODQDXJNAOEQ-UHFFFAOYSA-N
XLogP1.86
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dibutyl(trihydroxy)-λ5-phosphane 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 dibutyl(trihydroxy)-λ5-phosphane?
The IUPAC name of dibutyl(trihydroxy)-λ5-phosphane (CID 57270779) is dibutyl(trihydroxy)-λ5-phosphane.
What is the SMILES notation for dibutyl(trihydroxy)-λ5-phosphane?
The canonical SMILES for dibutyl(trihydroxy)-λ5-phosphane is CCCCP(O)(O)(O)CCCC.
What is the InChIKey of dibutyl(trihydroxy)-λ5-phosphane?
The InChIKey is WLUODQDXJNAOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21O3P/c1-3-5-7-12(9,10,11)8-6-4-2/h9-11H,3-8H2,1-2H3.
What are the key properties of dibutyl(trihydroxy)-λ5-phosphane?
dibutyl(trihydroxy)-λ5-phosphane has a molecular weight of 196.23 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(trihydroxy)-λ5-phosphane is sourced from PubChem (CID 57270779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).