hydroxy-oxo-(3-oxobutyl)phosphanium

C4H8O3P+ — CID 19352848

IUPAChydroxy-oxo-(3-oxobutyl)phosphanium
SMILESCC(=O)CC[P+](=O)O
InChIInChI=1S/C4H7O3P/c1-4(5)2-3-8(6)7/h2-3H2,1H3/p+1
InChIKeyLQOOQIXVYWCALN-UHFFFAOYSA-O
MW135.08 g/mol
LogP0.70
Rot. Bonds3

About hydroxy-oxo-(3-oxobutyl)phosphanium

hydroxy-oxo-(3-oxobutyl)phosphanium (PubChem CID 19352848) has the molecular formula C4H8O3P+ and a molecular weight of 135.08 g/mol. Its IUPAC name is hydroxy-oxo-(3-oxobutyl)phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-(3-oxobutyl)phosphanium
PubChem CID19352848
Molecular FormulaC4H8O3P+
Molecular Weight135.08 g/mol
Exact Mass135.02
IUPAC Namehydroxy-oxo-(3-oxobutyl)phosphanium
SMILESCC(=O)CC[P+](=O)O
InChIInChI=1S/C4H7O3P/c1-4(5)2-3-8(6)7/h2-3H2,1H3/p+1
InChIKeyLQOOQIXVYWCALN-UHFFFAOYSA-O
XLogP0.70
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.08
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phosphonic acid, (2-oxobutyl)-, dimethyl ester
CID 10856066
(2-Oxopropyl)phosphonic Acid
CID 425760
(2-Oxo-4-phosphonobutyl)phosphonic acid
CID 44358912
4-(Dimethylphosphoryl)butan-2-one
CID 23549048
(3-Oxobutyl)phosphonic acid
CID 15667653
Phosphonic acid, (3-methyl-2-oxobutyl)-
CID 155079
Methylphosphonoacetone
CID 316550
Phosphonic acid, (1-methyl-2-oxopropyl)-, dimethyl ester
CID 11073986
Acetylmethyl phosphinic acid
CID 20700701
1-Dimethylacetonylphosphonate
CID 22643610
Trihydroxy(2-oxobutyl)phosphanium
CID 88999678
Methyl(3-oxobutyl)phosphinic acid
CID 303550

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(3-oxobutyl)phosphanium?
The IUPAC name of hydroxy-oxo-(3-oxobutyl)phosphanium (CID 19352848) is hydroxy-oxo-(3-oxobutyl)phosphanium.
What is the SMILES notation for hydroxy-oxo-(3-oxobutyl)phosphanium?
The canonical SMILES for hydroxy-oxo-(3-oxobutyl)phosphanium is CC(=O)CC[P+](=O)O.
What is the InChIKey of hydroxy-oxo-(3-oxobutyl)phosphanium?
The InChIKey is LQOOQIXVYWCALN-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H7O3P/c1-4(5)2-3-8(6)7/h2-3H2,1H3/p+1.
What are the key properties of hydroxy-oxo-(3-oxobutyl)phosphanium?
hydroxy-oxo-(3-oxobutyl)phosphanium has a molecular weight of 135.08 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(3-oxobutyl)phosphanium is sourced from PubChem (CID 19352848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).