spiro[3.5]nonane-2-carboxylic acid

C10H16O2 — CID 65007002

IUPACspiro[3.5]nonane-2-carboxylic acid
SMILESO=C(O)C1CC2(CCCCC2)C1
InChIInChI=1S/C10H16O2/c11-9(12)8-6-10(7-8)4-2-1-3-5-10/h8H,1-7H2,(H,11,12)
InChIKeyOWTIIAGNMRDTCU-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.43
Rot. Bonds1

About spiro[3.5]nonane-2-carboxylic acid

spiro[3.5]nonane-2-carboxylic acid (PubChem CID 65007002) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is spiro[3.5]nonane-2-carboxylic acid.

Molecular Properties

Compound Namespiro[3.5]nonane-2-carboxylic acid
PubChem CID65007002
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namespiro[3.5]nonane-2-carboxylic acid
SMILESO=C(O)C1CC2(CCCCC2)C1
InChIInChI=1S/C10H16O2/c11-9(12)8-6-10(7-8)4-2-1-3-5-10/h8H,1-7H2,(H,11,12)
InChIKeyOWTIIAGNMRDTCU-UHFFFAOYSA-N
XLogP2.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[3.5]nonane-2-carboxylic acid?
The IUPAC name of spiro[3.5]nonane-2-carboxylic acid (CID 65007002) is spiro[3.5]nonane-2-carboxylic acid.
What is the SMILES notation for spiro[3.5]nonane-2-carboxylic acid?
The canonical SMILES for spiro[3.5]nonane-2-carboxylic acid is O=C(O)C1CC2(CCCCC2)C1.
What is the InChIKey of spiro[3.5]nonane-2-carboxylic acid?
The InChIKey is OWTIIAGNMRDTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c11-9(12)8-6-10(7-8)4-2-1-3-5-10/h8H,1-7H2,(H,11,12).
What are the key properties of spiro[3.5]nonane-2-carboxylic acid?
spiro[3.5]nonane-2-carboxylic acid has a molecular weight of 168.24 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3.5]nonane-2-carboxylic acid is sourced from PubChem (CID 65007002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).