hydroxy-(4-methoxy-4-oxobutyl)-oxophosphanium

C5H10O4P+ — CID 11252202

IUPAChydroxy-(4-methoxy-4-oxobutyl)-oxophosphanium
SMILESCOC(=O)CCC[P+](=O)O
InChIInChI=1S/C5H9O4P/c1-9-5(6)3-2-4-10(7)8/h2-4H2,1H3/p+1
InChIKeyBPPGYRZEFYYYRG-UHFFFAOYSA-O
MW165.10 g/mol
LogP0.67
Rot. Bonds4

About hydroxy-(4-methoxy-4-oxobutyl)-oxophosphanium

hydroxy-(4-methoxy-4-oxobutyl)-oxophosphanium (PubChem CID 11252202) has the molecular formula C5H10O4P+ and a molecular weight of 165.10 g/mol. Its IUPAC name is hydroxy-(4-methoxy-4-oxobutyl)-oxophosphanium.

Molecular Properties

Compound Namehydroxy-(4-methoxy-4-oxobutyl)-oxophosphanium
PubChem CID11252202
Molecular FormulaC5H10O4P+
Molecular Weight165.10 g/mol
Exact Mass165.03
IUPAC Namehydroxy-(4-methoxy-4-oxobutyl)-oxophosphanium
SMILESCOC(=O)CCC[P+](=O)O
InChIInChI=1S/C5H9O4P/c1-9-5(6)3-2-4-10(7)8/h2-4H2,1H3/p+1
InChIKeyBPPGYRZEFYYYRG-UHFFFAOYSA-O
XLogP0.67
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.10
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl pentanedioate;hydrochloride
CID 175168861
dimethyl dotriacontanedioate
CID 14325565
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
dimethyl hexanedioate;molecular hydrogen
CID 173272620
dimethyl 6,7-dioxododecanedioate
CID 71343651
methyl 4-methoxybutanoate
CID 542317
methyl 4-chloro(111C)butanoate
CID 11579134
dimethyl 9-oxooctadecanedioate
CID 544455
methyl 20-bromoicosanoate
CID 155895697

Frequently Asked Questions

What is the IUPAC name of hydroxy-(4-methoxy-4-oxobutyl)-oxophosphanium?
The IUPAC name of hydroxy-(4-methoxy-4-oxobutyl)-oxophosphanium (CID 11252202) is hydroxy-(4-methoxy-4-oxobutyl)-oxophosphanium.
What is the SMILES notation for hydroxy-(4-methoxy-4-oxobutyl)-oxophosphanium?
The canonical SMILES for hydroxy-(4-methoxy-4-oxobutyl)-oxophosphanium is COC(=O)CCC[P+](=O)O.
What is the InChIKey of hydroxy-(4-methoxy-4-oxobutyl)-oxophosphanium?
The InChIKey is BPPGYRZEFYYYRG-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H9O4P/c1-9-5(6)3-2-4-10(7)8/h2-4H2,1H3/p+1.
What are the key properties of hydroxy-(4-methoxy-4-oxobutyl)-oxophosphanium?
hydroxy-(4-methoxy-4-oxobutyl)-oxophosphanium has a molecular weight of 165.10 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(4-methoxy-4-oxobutyl)-oxophosphanium is sourced from PubChem (CID 11252202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).