5-oxaspiro[3.5]nonane-2-carboxylic acid

C9H14O3 — CID 56962176

IUPAC5-oxaspiro[3.5]nonane-2-carboxylic acid
SMILESO=C(O)C1CC2(CCCCO2)C1
InChIInChI=1S/C9H14O3/c10-8(11)7-5-9(6-7)3-1-2-4-12-9/h7H,1-6H2,(H,10,11)
InChIKeyYXJQEKYNPLVKTG-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.42
Rot. Bonds1

About 5-oxaspiro[3.5]nonane-2-carboxylic acid

5-oxaspiro[3.5]nonane-2-carboxylic acid (PubChem CID 56962176) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 5-oxaspiro[3.5]nonane-2-carboxylic acid.

Molecular Properties

Compound Name5-oxaspiro[3.5]nonane-2-carboxylic acid
PubChem CID56962176
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name5-oxaspiro[3.5]nonane-2-carboxylic acid
SMILESO=C(O)C1CC2(CCCCO2)C1
InChIInChI=1S/C9H14O3/c10-8(11)7-5-9(6-7)3-1-2-4-12-9/h7H,1-6H2,(H,10,11)
InChIKeyYXJQEKYNPLVKTG-UHFFFAOYSA-N
XLogP1.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxaspiro[3.5]nonane-2-carboxylic acid?
The IUPAC name of 5-oxaspiro[3.5]nonane-2-carboxylic acid (CID 56962176) is 5-oxaspiro[3.5]nonane-2-carboxylic acid.
What is the SMILES notation for 5-oxaspiro[3.5]nonane-2-carboxylic acid?
The canonical SMILES for 5-oxaspiro[3.5]nonane-2-carboxylic acid is O=C(O)C1CC2(CCCCO2)C1.
What is the InChIKey of 5-oxaspiro[3.5]nonane-2-carboxylic acid?
The InChIKey is YXJQEKYNPLVKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c10-8(11)7-5-9(6-7)3-1-2-4-12-9/h7H,1-6H2,(H,10,11).
What are the key properties of 5-oxaspiro[3.5]nonane-2-carboxylic acid?
5-oxaspiro[3.5]nonane-2-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxaspiro[3.5]nonane-2-carboxylic acid is sourced from PubChem (CID 56962176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).