butoxy-hydroxy-oxophosphanium

C4H10O3P+ — CID 6327918

IUPACbutoxy-hydroxy-oxophosphanium
SMILESCCCCO[P+](=O)O
InChIInChI=1S/C4H9O3P/c1-2-3-4-7-8(5)6/h2-4H2,1H3/p+1
InChIKeyCERDIVAFXRCORQ-UHFFFAOYSA-O
MW137.09 g/mol
LogP1.45
Rot. Bonds4

About butoxy-hydroxy-oxophosphanium

butoxy-hydroxy-oxophosphanium (PubChem CID 6327918) has the molecular formula C4H10O3P+ and a molecular weight of 137.09 g/mol. Its IUPAC name is butoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Namebutoxy-hydroxy-oxophosphanium
PubChem CID6327918
Molecular FormulaC4H10O3P+
Molecular Weight137.09 g/mol
Exact Mass137.04
IUPAC Namebutoxy-hydroxy-oxophosphanium
SMILESCCCCO[P+](=O)O
InChIInChI=1S/C4H9O3P/c1-2-3-4-7-8(5)6/h2-4H2,1H3/p+1
InChIKeyCERDIVAFXRCORQ-UHFFFAOYSA-O
XLogP1.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.09
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butoxy-hydroxy-oxophosphanium?
The IUPAC name of butoxy-hydroxy-oxophosphanium (CID 6327918) is butoxy-hydroxy-oxophosphanium.
What is the SMILES notation for butoxy-hydroxy-oxophosphanium?
The canonical SMILES for butoxy-hydroxy-oxophosphanium is CCCCO[P+](=O)O.
What is the InChIKey of butoxy-hydroxy-oxophosphanium?
The InChIKey is CERDIVAFXRCORQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9O3P/c1-2-3-4-7-8(5)6/h2-4H2,1H3/p+1.
What are the key properties of butoxy-hydroxy-oxophosphanium?
butoxy-hydroxy-oxophosphanium has a molecular weight of 137.09 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 6327918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).