2-oxaspiro[4.5]decane-3-carboxylic acid

C10H16O3 — CID 154578314

IUPAC2-oxaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1CC2(CCCCC2)CO1
InChIInChI=1S/C10H16O3/c11-9(12)8-6-10(7-13-8)4-2-1-3-5-10/h8H,1-7H2,(H,11,12)
InChIKeyNQAIIHQBPMYVKF-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.81
Rot. Bonds1

About 2-oxaspiro[4.5]decane-3-carboxylic acid

2-oxaspiro[4.5]decane-3-carboxylic acid (PubChem CID 154578314) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-oxaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name2-oxaspiro[4.5]decane-3-carboxylic acid
PubChem CID154578314
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-oxaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1CC2(CCCCC2)CO1
InChIInChI=1S/C10H16O3/c11-9(12)8-6-10(7-13-8)4-2-1-3-5-10/h8H,1-7H2,(H,11,12)
InChIKeyNQAIIHQBPMYVKF-UHFFFAOYSA-N
XLogP1.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 2-oxaspiro[4.5]decane-3-carboxylic acid (CID 154578314) is 2-oxaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 2-oxaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 2-oxaspiro[4.5]decane-3-carboxylic acid is O=C(O)C1CC2(CCCCC2)CO1.
What is the InChIKey of 2-oxaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is NQAIIHQBPMYVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c11-9(12)8-6-10(7-13-8)4-2-1-3-5-10/h8H,1-7H2,(H,11,12).
What are the key properties of 2-oxaspiro[4.5]decane-3-carboxylic acid?
2-oxaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 184.23 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 154578314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).