1-oxaspiro[4.5]decane-8-carboxylic acid

C10H16O3 — CID 66583266

IUPAC1-oxaspiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)C1CCC2(CCCO2)CC1
InChIInChI=1S/C10H16O3/c11-9(12)8-2-5-10(6-3-8)4-1-7-13-10/h8H,1-7H2,(H,11,12)
InChIKeyGEORDVAFKOMDCW-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.81
Rot. Bonds1

About 1-oxaspiro[4.5]decane-8-carboxylic acid

1-oxaspiro[4.5]decane-8-carboxylic acid (PubChem CID 66583266) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 1-oxaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name1-oxaspiro[4.5]decane-8-carboxylic acid
PubChem CID66583266
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name1-oxaspiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)C1CCC2(CCCO2)CC1
InChIInChI=1S/C10H16O3/c11-9(12)8-2-5-10(6-3-8)4-1-7-13-10/h8H,1-7H2,(H,11,12)
InChIKeyGEORDVAFKOMDCW-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

Analyze 1-oxaspiro[4.5]decane-8-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 1-oxaspiro[4.5]decane-8-carboxylic acid (CID 66583266) is 1-oxaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 1-oxaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 1-oxaspiro[4.5]decane-8-carboxylic acid is O=C(O)C1CCC2(CCCO2)CC1.
What is the InChIKey of 1-oxaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is GEORDVAFKOMDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c11-9(12)8-2-5-10(6-3-8)4-1-7-13-10/h8H,1-7H2,(H,11,12).
What are the key properties of 1-oxaspiro[4.5]decane-8-carboxylic acid?
1-oxaspiro[4.5]decane-8-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 1-oxaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 66583266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).