sodium;4-ethoxy-4-oxobutanoic acid;hydride

C6H11NaO4 — CID 173021123

IUPACsodium;4-ethoxy-4-oxobutanoic acid;hydride
SMILESCCOC(=O)CCC(=O)O.[H-].[Na+]
InChIInChI=1S/C6H10O4.Na.H/c1-2-10-6(9)4-3-5(7)8;;/h2-4H2,1H3,(H,7,8);;/q;+1;-1
InChIKeyNPVAOCJWQSTBSY-UHFFFAOYSA-N
MW170.14 g/mol
LogP-2.47
Rot. Bonds4

About sodium;4-ethoxy-4-oxobutanoic acid;hydride

sodium;4-ethoxy-4-oxobutanoic acid;hydride (PubChem CID 173021123) has the molecular formula C6H11NaO4 and a molecular weight of 170.14 g/mol. Its IUPAC name is sodium;4-ethoxy-4-oxobutanoic acid;hydride.

Molecular Properties

Compound Namesodium;4-ethoxy-4-oxobutanoic acid;hydride
PubChem CID173021123
Molecular FormulaC6H11NaO4
Molecular Weight170.14 g/mol
Exact Mass170.06
IUPAC Namesodium;4-ethoxy-4-oxobutanoic acid;hydride
SMILESCCOC(=O)CCC(=O)O.[H-].[Na+]
InChIInChI=1S/C6H10O4.Na.H/c1-2-10-6(9)4-3-5(7)8;;/h2-4H2,1H3,(H,7,8);;/q;+1;-1
InChIKeyNPVAOCJWQSTBSY-UHFFFAOYSA-N
XLogP-2.47
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 5-2.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzene;4-ethoxy-4-oxobutanoic acid
CID 67333370
4-ethoxy-4-oxobutanoic acid;hexane
CID 87078954
5-ethoxy-5-oxopentanoic acid;pentanedioic acid
CID 161278417
23-ethoxy-23-oxotricosanoic acid
CID 67326593
21-ethoxy-21-oxohenicosanoic acid
CID 155487301
sodium;diethyl decanedioate;hydride
CID 173076435
3-[(3-ethoxy-3-oxopropyl)disulfanyl]propanoic acid
CID 54060780
acetic acid;ethyl 4-oxopentanoate
CID 173361245
4-O-ethyl 1-O-methyl butanedioate
CID 522068
4-amino-7-ethoxy-7-oxoheptanoic acid
CID 87355046
5-(3-ethoxy-3-oxopropoxy)-5-oxopentanoic acid
CID 150155538
ethyl octanoate;octanoic acid
CID 18625122

Frequently Asked Questions

What is the IUPAC name of sodium;4-ethoxy-4-oxobutanoic acid;hydride?
The IUPAC name of sodium;4-ethoxy-4-oxobutanoic acid;hydride (CID 173021123) is sodium;4-ethoxy-4-oxobutanoic acid;hydride.
What is the SMILES notation for sodium;4-ethoxy-4-oxobutanoic acid;hydride?
The canonical SMILES for sodium;4-ethoxy-4-oxobutanoic acid;hydride is CCOC(=O)CCC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;4-ethoxy-4-oxobutanoic acid;hydride?
The InChIKey is NPVAOCJWQSTBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.Na.H/c1-2-10-6(9)4-3-5(7)8;;/h2-4H2,1H3,(H,7,8);;/q;+1;-1.
What are the key properties of sodium;4-ethoxy-4-oxobutanoic acid;hydride?
sodium;4-ethoxy-4-oxobutanoic acid;hydride has a molecular weight of 170.14 g/mol, XLogP of -2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-ethoxy-4-oxobutanoic acid;hydride is sourced from PubChem (CID 173021123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).