sodium 2-oxo-1-oxaspiro[4.5]decane-4-carboxylate

C10H13NaO4 — CID 23667534

IUPACsodium 2-oxo-1-oxaspiro[4.5]decane-4-carboxylate
SMILESO=C1CC(C(=O)[O-])C2(CCCCC2)O1.[Na+]
InChIInChI=1S/C10H14O4.Na/c11-8-6-7(9(12)13)10(14-8)4-2-1-3-5-10;/h7H,1-6H2,(H,12,13);/q;+1/p-1
InChIKeyMPESGKTWVZXFME-UHFFFAOYSA-M
MW220.20 g/mol
LogP-2.99
Rot. Bonds1

About sodium 2-oxo-1-oxaspiro[4.5]decane-4-carboxylate

sodium 2-oxo-1-oxaspiro[4.5]decane-4-carboxylate (PubChem CID 23667534) has the molecular formula C10H13NaO4 and a molecular weight of 220.20 g/mol. Its IUPAC name is sodium 2-oxo-1-oxaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Namesodium 2-oxo-1-oxaspiro[4.5]decane-4-carboxylate
PubChem CID23667534
Molecular FormulaC10H13NaO4
Molecular Weight220.20 g/mol
Exact Mass220.07
IUPAC Namesodium 2-oxo-1-oxaspiro[4.5]decane-4-carboxylate
SMILESO=C1CC(C(=O)[O-])C2(CCCCC2)O1.[Na+]
InChIInChI=1S/C10H14O4.Na/c11-8-6-7(9(12)13)10(14-8)4-2-1-3-5-10;/h7H,1-6H2,(H,12,13);/q;+1/p-1
InChIKeyMPESGKTWVZXFME-UHFFFAOYSA-M
XLogP-2.99
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 5-2.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 2-oxo-1-oxaspiro[4.5]decane-4-carboxylate?
The IUPAC name of sodium 2-oxo-1-oxaspiro[4.5]decane-4-carboxylate (CID 23667534) is sodium 2-oxo-1-oxaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for sodium 2-oxo-1-oxaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for sodium 2-oxo-1-oxaspiro[4.5]decane-4-carboxylate is O=C1CC(C(=O)[O-])C2(CCCCC2)O1.[Na+].
What is the InChIKey of sodium 2-oxo-1-oxaspiro[4.5]decane-4-carboxylate?
The InChIKey is MPESGKTWVZXFME-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H14O4.Na/c11-8-6-7(9(12)13)10(14-8)4-2-1-3-5-10;/h7H,1-6H2,(H,12,13);/q;+1/p-1.
What are the key properties of sodium 2-oxo-1-oxaspiro[4.5]decane-4-carboxylate?
sodium 2-oxo-1-oxaspiro[4.5]decane-4-carboxylate has a molecular weight of 220.20 g/mol, XLogP of -2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-oxo-1-oxaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 23667534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).