2-spiro[5.5]undecan-3-ylacetic acid

C13H22O2 — CID 83909560

IUPAC2-spiro[5.5]undecan-3-ylacetic acid
SMILESO=C(O)CC1CCC2(CCCCC2)CC1
InChIInChI=1S/C13H22O2/c14-12(15)10-11-4-8-13(9-5-11)6-2-1-3-7-13/h11H,1-10H2,(H,14,15)
InChIKeyRMCRETNLZXLYLM-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.60
Rot. Bonds2

About 2-spiro[5.5]undecan-3-ylacetic acid

2-spiro[5.5]undecan-3-ylacetic acid (PubChem CID 83909560) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-spiro[5.5]undecan-3-ylacetic acid.

Molecular Properties

Compound Name2-spiro[5.5]undecan-3-ylacetic acid
PubChem CID83909560
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-spiro[5.5]undecan-3-ylacetic acid
SMILESO=C(O)CC1CCC2(CCCCC2)CC1
InChIInChI=1S/C13H22O2/c14-12(15)10-11-4-8-13(9-5-11)6-2-1-3-7-13/h11H,1-10H2,(H,14,15)
InChIKeyRMCRETNLZXLYLM-UHFFFAOYSA-N
XLogP3.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-spiro[5.5]undecan-3-ylacetic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-spiro[4.5]decan-9-ylacetic acid
CID 150402729
methyl 2-spiro[5.5]undecan-3-ylacetate
CID 118404685
azane;2-cyclohexylacetic acid;iron
CID 67746719
potassium;2-cyclohexylacetic acid;hydride
CID 174261063
2-(4,4-diethylcyclohexyl)acetic acid
CID 123185635
spiro[5.5]undecan-3-ylmethylazanium
CID 58073628
2-(8,15,16-trioxadispiro[5.2.59.26]hexadecan-3-yl)acetic acid
CID 56673834
2-cyclohexylacetic acid;sulfuric acid
CID 174433718
2-cyclohexylacetic acid;ethane;methanamine
CID 176577797
2-(2,2-difluorospiro[2.5]octan-6-yl)acetic acid
CID 105455969
2-[3-[(2-methylpropan-2-yl)oxymethyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid
CID 90738914
2-(3-propylsulfonyl-3-azaspiro[5.5]undecan-9-yl)acetic acid
CID 166273848

Frequently Asked Questions

What is the IUPAC name of 2-spiro[5.5]undecan-3-ylacetic acid?
The IUPAC name of 2-spiro[5.5]undecan-3-ylacetic acid (CID 83909560) is 2-spiro[5.5]undecan-3-ylacetic acid.
What is the SMILES notation for 2-spiro[5.5]undecan-3-ylacetic acid?
The canonical SMILES for 2-spiro[5.5]undecan-3-ylacetic acid is O=C(O)CC1CCC2(CCCCC2)CC1.
What is the InChIKey of 2-spiro[5.5]undecan-3-ylacetic acid?
The InChIKey is RMCRETNLZXLYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c14-12(15)10-11-4-8-13(9-5-11)6-2-1-3-7-13/h11H,1-10H2,(H,14,15).
What are the key properties of 2-spiro[5.5]undecan-3-ylacetic acid?
2-spiro[5.5]undecan-3-ylacetic acid has a molecular weight of 210.32 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[5.5]undecan-3-ylacetic acid is sourced from PubChem (CID 83909560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).