sodium;hydride;(4-methoxy-4-oxobutanoyl)-pentylphosphinic acid

C10H20NaO5P — CID 173427730

IUPACsodium;hydride;(4-methoxy-4-oxobutanoyl)-pentylphosphinic acid
SMILESCCCCCP(=O)(O)C(=O)CCC(=O)OC.[H-].[Na+]
InChIInChI=1S/C10H19O5P.Na.H/c1-3-4-5-8-16(13,14)10(12)7-6-9(11)15-2;;/h3-8H2,1-2H3,(H,13,14);;/q;+1;-1
InChIKeyHMLTVFJVRPWYDQ-UHFFFAOYSA-N
MW274.23 g/mol
LogP-0.96
Rot. Bonds8

About sodium;hydride;(4-methoxy-4-oxobutanoyl)-pentylphosphinic acid

sodium;hydride;(4-methoxy-4-oxobutanoyl)-pentylphosphinic acid (PubChem CID 173427730) has the molecular formula C10H20NaO5P and a molecular weight of 274.23 g/mol. Its IUPAC name is sodium;hydride;(4-methoxy-4-oxobutanoyl)-pentylphosphinic acid.

Molecular Properties

Compound Namesodium;hydride;(4-methoxy-4-oxobutanoyl)-pentylphosphinic acid
PubChem CID173427730
Molecular FormulaC10H20NaO5P
Molecular Weight274.23 g/mol
Exact Mass274.09
IUPAC Namesodium;hydride;(4-methoxy-4-oxobutanoyl)-pentylphosphinic acid
SMILESCCCCCP(=O)(O)C(=O)CCC(=O)OC.[H-].[Na+]
InChIInChI=1S/C10H19O5P.Na.H/c1-3-4-5-8-16(13,14)10(12)7-6-9(11)15-2;;/h3-8H2,1-2H3,(H,13,14);;/q;+1;-1
InChIKeyHMLTVFJVRPWYDQ-UHFFFAOYSA-N
XLogP-0.96
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium hydroxy-(4-methoxy-4-oxobutanoyl)phosphinate
CID 88728962
methyl 6-oxoundecanoate
CID 12920411
potassium;hydride;methyl octadecanoate
CID 175153010
methyl heptadecanoate
CID 15609
methyl tetradecanoate
CID 89052795
methyl heptanoate
CID 7826
ethane;methyl hexanoate
CID 159004993
methyl octadecanoate;methyl octanoate
CID 157178883
methyl 6-oxoicosanoate
CID 57100590
dimethyl butanedioate;hexanoic acid
CID 174884800
methyl 8-oxotridecanoate
CID 14454473
methyl 7-oxoicosanoate
CID 86186885

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;(4-methoxy-4-oxobutanoyl)-pentylphosphinic acid?
The IUPAC name of sodium;hydride;(4-methoxy-4-oxobutanoyl)-pentylphosphinic acid (CID 173427730) is sodium;hydride;(4-methoxy-4-oxobutanoyl)-pentylphosphinic acid.
What is the SMILES notation for sodium;hydride;(4-methoxy-4-oxobutanoyl)-pentylphosphinic acid?
The canonical SMILES for sodium;hydride;(4-methoxy-4-oxobutanoyl)-pentylphosphinic acid is CCCCCP(=O)(O)C(=O)CCC(=O)OC.[H-].[Na+].
What is the InChIKey of sodium;hydride;(4-methoxy-4-oxobutanoyl)-pentylphosphinic acid?
The InChIKey is HMLTVFJVRPWYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O5P.Na.H/c1-3-4-5-8-16(13,14)10(12)7-6-9(11)15-2;;/h3-8H2,1-2H3,(H,13,14);;/q;+1;-1.
What are the key properties of sodium;hydride;(4-methoxy-4-oxobutanoyl)-pentylphosphinic acid?
sodium;hydride;(4-methoxy-4-oxobutanoyl)-pentylphosphinic acid has a molecular weight of 274.23 g/mol, XLogP of -0.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;(4-methoxy-4-oxobutanoyl)-pentylphosphinic acid is sourced from PubChem (CID 173427730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).