butyl(trihydroxy)phosphanium

C4H12O3P+ — CID 21448879

IUPACbutyl(trihydroxy)phosphanium
SMILESCCCC[P+](O)(O)O
InChIInChI=1S/C4H12O3P/c1-2-3-4-8(5,6)7/h5-7H,2-4H2,1H3/q+1
InChIKeyVSGWCSGKZJTALF-UHFFFAOYSA-N
MW139.11 g/mol
LogP0.53
Rot. Bonds3

About butyl(trihydroxy)phosphanium

butyl(trihydroxy)phosphanium (PubChem CID 21448879) has the molecular formula C4H12O3P+ and a molecular weight of 139.11 g/mol. Its IUPAC name is butyl(trihydroxy)phosphanium.

Molecular Properties

Compound Namebutyl(trihydroxy)phosphanium
PubChem CID21448879
Molecular FormulaC4H12O3P+
Molecular Weight139.11 g/mol
Exact Mass139.05
IUPAC Namebutyl(trihydroxy)phosphanium
SMILESCCCC[P+](O)(O)O
InChIInChI=1S/C4H12O3P/c1-2-3-4-8(5,6)7/h5-7H,2-4H2,1H3/q+1
InChIKeyVSGWCSGKZJTALF-UHFFFAOYSA-N
XLogP0.53
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl(trihydroxy)phosphanium?
The IUPAC name of butyl(trihydroxy)phosphanium (CID 21448879) is butyl(trihydroxy)phosphanium.
What is the SMILES notation for butyl(trihydroxy)phosphanium?
The canonical SMILES for butyl(trihydroxy)phosphanium is CCCC[P+](O)(O)O.
What is the InChIKey of butyl(trihydroxy)phosphanium?
The InChIKey is VSGWCSGKZJTALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12O3P/c1-2-3-4-8(5,6)7/h5-7H,2-4H2,1H3/q+1.
What are the key properties of butyl(trihydroxy)phosphanium?
butyl(trihydroxy)phosphanium has a molecular weight of 139.11 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(trihydroxy)phosphanium is sourced from PubChem (CID 21448879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).