sodium;hydride;methoxycarbonyl cyclopropanecarboxylate

C6H9NaO4 — CID 174775047

IUPACsodium;hydride;methoxycarbonyl cyclopropanecarboxylate
SMILESCOC(=O)OC(=O)C1CC1.[H-].[Na+]
InChIInChI=1S/C6H8O4.Na.H/c1-9-6(8)10-5(7)4-2-3-4;;/h4H,2-3H2,1H3;;/q;+1;-1
InChIKeyWJNJLQWKIMRQCE-UHFFFAOYSA-N
MW168.12 g/mol
LogP-2.18
Rot. Bonds1

About sodium;hydride;methoxycarbonyl cyclopropanecarboxylate

sodium;hydride;methoxycarbonyl cyclopropanecarboxylate (PubChem CID 174775047) has the molecular formula C6H9NaO4 and a molecular weight of 168.12 g/mol. Its IUPAC name is sodium;hydride;methoxycarbonyl cyclopropanecarboxylate.

Molecular Properties

Compound Namesodium;hydride;methoxycarbonyl cyclopropanecarboxylate
PubChem CID174775047
Molecular FormulaC6H9NaO4
Molecular Weight168.12 g/mol
Exact Mass168.04
IUPAC Namesodium;hydride;methoxycarbonyl cyclopropanecarboxylate
SMILESCOC(=O)OC(=O)C1CC1.[H-].[Na+]
InChIInChI=1S/C6H8O4.Na.H/c1-9-6(8)10-5(7)4-2-3-4;;/h4H,2-3H2,1H3;;/q;+1;-1
InChIKeyWJNJLQWKIMRQCE-UHFFFAOYSA-N
XLogP-2.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.12
LogP ≤ 5-2.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990
methyl 4-fluorocyclohexane-1-carboxylate
CID 21281592
2-methylpropyl cyclopropanecarboxylate
CID 549520
methylamino cyclopropanecarboxylate
CID 19995333
propan-2-yl cyclopropanecarboxylate
CID 550170
methyl cyclobutanecarboxylate;hydrate
CID 175300594
butan-2-yloxycarbonyl cyclohexanecarboxylate
CID 23002569
methyl 4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane-1-carboxylate
CID 54244189
methyl 4-oxamoylcyclohexane-1-carboxylate
CID 173390857
methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride
CID 163685796
ethane;methyl cyclohexanecarboxylate
CID 90871014

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;methoxycarbonyl cyclopropanecarboxylate?
The IUPAC name of sodium;hydride;methoxycarbonyl cyclopropanecarboxylate (CID 174775047) is sodium;hydride;methoxycarbonyl cyclopropanecarboxylate.
What is the SMILES notation for sodium;hydride;methoxycarbonyl cyclopropanecarboxylate?
The canonical SMILES for sodium;hydride;methoxycarbonyl cyclopropanecarboxylate is COC(=O)OC(=O)C1CC1.[H-].[Na+].
What is the InChIKey of sodium;hydride;methoxycarbonyl cyclopropanecarboxylate?
The InChIKey is WJNJLQWKIMRQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4.Na.H/c1-9-6(8)10-5(7)4-2-3-4;;/h4H,2-3H2,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;methoxycarbonyl cyclopropanecarboxylate?
sodium;hydride;methoxycarbonyl cyclopropanecarboxylate has a molecular weight of 168.12 g/mol, XLogP of -2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;methoxycarbonyl cyclopropanecarboxylate is sourced from PubChem (CID 174775047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).