[butyl(hydroxy)phosphoryl]phosphonic acid

C4H12O5P2 — CID 23219870

IUPAC[butyl(hydroxy)phosphoryl]phosphonic acid
SMILESCCCCP(=O)(O)P(=O)(O)O
InChIInChI=1S/C4H12O5P2/c1-2-3-4-10(5,6)11(7,8)9/h2-4H2,1H3,(H,5,6)(H2,7,8,9)
InChIKeyWWRNPPMQEGFSNR-UHFFFAOYSA-N
MW202.08 g/mol
LogP1.15
Rot. Bonds4

About [butyl(hydroxy)phosphoryl]phosphonic acid

[butyl(hydroxy)phosphoryl]phosphonic acid (PubChem CID 23219870) has the molecular formula C4H12O5P2 and a molecular weight of 202.08 g/mol. Its IUPAC name is [butyl(hydroxy)phosphoryl]phosphonic acid.

Molecular Properties

Compound Name[butyl(hydroxy)phosphoryl]phosphonic acid
PubChem CID23219870
Molecular FormulaC4H12O5P2
Molecular Weight202.08 g/mol
Exact Mass202.02
IUPAC Name[butyl(hydroxy)phosphoryl]phosphonic acid
SMILESCCCCP(=O)(O)P(=O)(O)O
InChIInChI=1S/C4H12O5P2/c1-2-3-4-10(5,6)11(7,8)9/h2-4H2,1H3,(H,5,6)(H2,7,8,9)
InChIKeyWWRNPPMQEGFSNR-UHFFFAOYSA-N
XLogP1.15
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.08
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [butyl(hydroxy)phosphoryl]phosphonic acid 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

butylphosphonic acid;neodymium
CID 134499527
butyl(methyl)phosphinic acid
CID 10909622
[butyl(hydroxy)phosphoryl]azanide
CID 163826899
potassium;butylphosphonic acid;hydride
CID 174388690
alumane;butyl(propyl)phosphinic acid
CID 174987333
dodecane;phosphoric acid
CID 88801558
butyl(2-hydroxyethyl)phosphinic acid
CID 87233440
CID 172720905
CID 172720905
dibutylphosphorylmethanol
CID 5219006
hexylphosphonic acid;octylphosphonic acid
CID 155346901
azane;pentylphosphonic acid
CID 173073704
CID 86733794
CID 86733794

Frequently Asked Questions

What is the IUPAC name of [butyl(hydroxy)phosphoryl]phosphonic acid?
The IUPAC name of [butyl(hydroxy)phosphoryl]phosphonic acid (CID 23219870) is [butyl(hydroxy)phosphoryl]phosphonic acid.
What is the SMILES notation for [butyl(hydroxy)phosphoryl]phosphonic acid?
The canonical SMILES for [butyl(hydroxy)phosphoryl]phosphonic acid is CCCCP(=O)(O)P(=O)(O)O.
What is the InChIKey of [butyl(hydroxy)phosphoryl]phosphonic acid?
The InChIKey is WWRNPPMQEGFSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12O5P2/c1-2-3-4-10(5,6)11(7,8)9/h2-4H2,1H3,(H,5,6)(H2,7,8,9).
What are the key properties of [butyl(hydroxy)phosphoryl]phosphonic acid?
[butyl(hydroxy)phosphoryl]phosphonic acid has a molecular weight of 202.08 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl(hydroxy)phosphoryl]phosphonic acid is sourced from PubChem (CID 23219870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).