butanoyloxy-methoxy-oxophosphanium

C5H10O4P+ — CID 151549627

IUPACbutanoyloxy-methoxy-oxophosphanium
SMILESCCCC(=O)O[P+](=O)OC
InChIInChI=1S/C5H10O4P/c1-3-4-5(6)9-10(7)8-2/h3-4H2,1-2H3/q+1
InChIKeyUYILJWAYRWTVQH-UHFFFAOYSA-N
MW165.10 g/mol
LogP1.63
Rot. Bonds4

About butanoyloxy-methoxy-oxophosphanium

butanoyloxy-methoxy-oxophosphanium (PubChem CID 151549627) has the molecular formula C5H10O4P+ and a molecular weight of 165.10 g/mol. Its IUPAC name is butanoyloxy-methoxy-oxophosphanium.

Molecular Properties

Compound Namebutanoyloxy-methoxy-oxophosphanium
PubChem CID151549627
Molecular FormulaC5H10O4P+
Molecular Weight165.10 g/mol
Exact Mass165.03
IUPAC Namebutanoyloxy-methoxy-oxophosphanium
SMILESCCCC(=O)O[P+](=O)OC
InChIInChI=1S/C5H10O4P/c1-3-4-5(6)9-10(7)8-2/h3-4H2,1-2H3/q+1
InChIKeyUYILJWAYRWTVQH-UHFFFAOYSA-N
XLogP1.63
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.10
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium;butanoyl butanoate;hydride
CID 173362700
chromium;methyl butanoate
CID 174781983
methyl butanoate;tetrahydrochloride
CID 173289582
CID 171374935
CID 171374935
potassium;butaneperoxoic acid;hydride
CID 174203200
dibutanoyl butanedioate
CID 88643975
di(butanoyloxy)phosphoryl butanoate
CID 23615252
ethyl (1,2-13C2)butanoate
CID 157463359
ethyl butanoate
CID 7762
phosphono butanoate
CID 266
methane;methoxymethyl butanoate
CID 159855538
phosphono butanoate;phosphoric acid
CID 175184207

Frequently Asked Questions

What is the IUPAC name of butanoyloxy-methoxy-oxophosphanium?
The IUPAC name of butanoyloxy-methoxy-oxophosphanium (CID 151549627) is butanoyloxy-methoxy-oxophosphanium.
What is the SMILES notation for butanoyloxy-methoxy-oxophosphanium?
The canonical SMILES for butanoyloxy-methoxy-oxophosphanium is CCCC(=O)O[P+](=O)OC.
What is the InChIKey of butanoyloxy-methoxy-oxophosphanium?
The InChIKey is UYILJWAYRWTVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4P/c1-3-4-5(6)9-10(7)8-2/h3-4H2,1-2H3/q+1.
What are the key properties of butanoyloxy-methoxy-oxophosphanium?
butanoyloxy-methoxy-oxophosphanium has a molecular weight of 165.10 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butanoyloxy-methoxy-oxophosphanium is sourced from PubChem (CID 151549627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).