sodium hydroxy-(3-methyl-2-oxobutyl)phosphinate

C5H10NaO4P — CID 23675933

IUPACsodium hydroxy-(3-methyl-2-oxobutyl)phosphinate
SMILESCC(C)C(=O)CP(=O)([O-])O.[Na+]
InChIInChI=1S/C5H11O4P.Na/c1-4(2)5(6)3-10(7,8)9;/h4H,3H2,1-2H3,(H2,7,8,9);/q;+1/p-1
InChIKeyRQDCGYQFQJKYMT-UHFFFAOYSA-M
MW188.09 g/mol
LogP-3.24
Rot. Bonds3

About sodium hydroxy-(3-methyl-2-oxobutyl)phosphinate

sodium hydroxy-(3-methyl-2-oxobutyl)phosphinate (PubChem CID 23675933) has the molecular formula C5H10NaO4P and a molecular weight of 188.09 g/mol. Its IUPAC name is sodium hydroxy-(3-methyl-2-oxobutyl)phosphinate.

Molecular Properties

Compound Namesodium hydroxy-(3-methyl-2-oxobutyl)phosphinate
PubChem CID23675933
Molecular FormulaC5H10NaO4P
Molecular Weight188.09 g/mol
Exact Mass188.02
IUPAC Namesodium hydroxy-(3-methyl-2-oxobutyl)phosphinate
SMILESCC(C)C(=O)CP(=O)([O-])O.[Na+]
InChIInChI=1S/C5H11O4P.Na/c1-4(2)5(6)3-10(7,8)9;/h4H,3H2,1-2H3,(H2,7,8,9);/q;+1/p-1
InChIKeyRQDCGYQFQJKYMT-UHFFFAOYSA-M
XLogP-3.24
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.09
LogP ≤ 5-3.24
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

Dimethyl (3-methyl-2-oxobutyl)phosphonate
CID 12628547
Sodium (3-methyl-2-oxobutyl)phosphonic acid
CID 54601833
(3-Oxobutyl)phosphonic acid
CID 15667653
Phosphonic acid, (3-methyl-2-oxobutyl)-
CID 155079
(3,3-Dimethyl-2-oxobutyl)phosphonic acid
CID 330855
Sodium (3,3-dimethyl-2-oxobutyl)phosphonic acid
CID 54604521
1-Dimethylacetonylphosphonate
CID 22643610
(1-Fluoro-3-methyl-2-oxobutyl)phosphonic acid
CID 87462670
Sodium (3,3-dimethyl-2-oxobutyl)-hydroxyphosphinate
CID 23675934
Sodium 3-oxobutan-2-ylphosphonic acid
CID 54601601
3-Oxobutan-2-ylphosphonic acid
CID 330863
2-Oxobutylphosphonic acid
CID 20348398

Frequently Asked Questions

What is the IUPAC name of sodium hydroxy-(3-methyl-2-oxobutyl)phosphinate?
The IUPAC name of sodium hydroxy-(3-methyl-2-oxobutyl)phosphinate (CID 23675933) is sodium hydroxy-(3-methyl-2-oxobutyl)phosphinate.
What is the SMILES notation for sodium hydroxy-(3-methyl-2-oxobutyl)phosphinate?
The canonical SMILES for sodium hydroxy-(3-methyl-2-oxobutyl)phosphinate is CC(C)C(=O)CP(=O)([O-])O.[Na+].
What is the InChIKey of sodium hydroxy-(3-methyl-2-oxobutyl)phosphinate?
The InChIKey is RQDCGYQFQJKYMT-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11O4P.Na/c1-4(2)5(6)3-10(7,8)9;/h4H,3H2,1-2H3,(H2,7,8,9);/q;+1/p-1.
What are the key properties of sodium hydroxy-(3-methyl-2-oxobutyl)phosphinate?
sodium hydroxy-(3-methyl-2-oxobutyl)phosphinate has a molecular weight of 188.09 g/mol, XLogP of -3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium hydroxy-(3-methyl-2-oxobutyl)phosphinate is sourced from PubChem (CID 23675933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).