4-chloro-8-oxaspiro[4.5]dec-3-ene-3-carboxylic acid

C10H13ClO3 — CID 130494002

IUPAC4-chloro-8-oxaspiro[4.5]dec-3-ene-3-carboxylic acid
SMILESO=C(O)C1=C(Cl)C2(CCOCC2)CC1
InChIInChI=1S/C10H13ClO3/c11-8-7(9(12)13)1-2-10(8)3-5-14-6-4-10/h1-6H2,(H,12,13)
InChIKeyLYRMHEMUVAGLMZ-UHFFFAOYSA-N
MW216.66 g/mol
LogP2.15
Rot. Bonds1

About 4-chloro-8-oxaspiro[4.5]dec-3-ene-3-carboxylic acid

4-chloro-8-oxaspiro[4.5]dec-3-ene-3-carboxylic acid (PubChem CID 130494002) has the molecular formula C10H13ClO3 and a molecular weight of 216.66 g/mol. Its IUPAC name is 4-chloro-8-oxaspiro[4.5]dec-3-ene-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-8-oxaspiro[4.5]dec-3-ene-3-carboxylic acid
PubChem CID130494002
Molecular FormulaC10H13ClO3
Molecular Weight216.66 g/mol
Exact Mass216.06
IUPAC Name4-chloro-8-oxaspiro[4.5]dec-3-ene-3-carboxylic acid
SMILESO=C(O)C1=C(Cl)C2(CCOCC2)CC1
InChIInChI=1S/C10H13ClO3/c11-8-7(9(12)13)1-2-10(8)3-5-14-6-4-10/h1-6H2,(H,12,13)
InChIKeyLYRMHEMUVAGLMZ-UHFFFAOYSA-N
XLogP2.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.66
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-oxaspiro[4.5]dec-3-ene-3-carboxylic acid?
The IUPAC name of 4-chloro-8-oxaspiro[4.5]dec-3-ene-3-carboxylic acid (CID 130494002) is 4-chloro-8-oxaspiro[4.5]dec-3-ene-3-carboxylic acid.
What is the SMILES notation for 4-chloro-8-oxaspiro[4.5]dec-3-ene-3-carboxylic acid?
The canonical SMILES for 4-chloro-8-oxaspiro[4.5]dec-3-ene-3-carboxylic acid is O=C(O)C1=C(Cl)C2(CCOCC2)CC1.
What is the InChIKey of 4-chloro-8-oxaspiro[4.5]dec-3-ene-3-carboxylic acid?
The InChIKey is LYRMHEMUVAGLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO3/c11-8-7(9(12)13)1-2-10(8)3-5-14-6-4-10/h1-6H2,(H,12,13).
What are the key properties of 4-chloro-8-oxaspiro[4.5]dec-3-ene-3-carboxylic acid?
4-chloro-8-oxaspiro[4.5]dec-3-ene-3-carboxylic acid has a molecular weight of 216.66 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-oxaspiro[4.5]dec-3-ene-3-carboxylic acid is sourced from PubChem (CID 130494002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).