2-(6-oxaspiro[3.5]nonan-7-yl)acetic acid

C10H16O3 — CID 126834701

IUPAC2-(6-oxaspiro[3.5]nonan-7-yl)acetic acid
SMILESO=C(O)CC1CCC2(CCC2)CO1
InChIInChI=1S/C10H16O3/c11-9(12)6-8-2-5-10(7-13-8)3-1-4-10/h8H,1-7H2,(H,11,12)
InChIKeyMFSUARVATREQOU-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.81
Rot. Bonds2

About 2-(6-oxaspiro[3.5]nonan-7-yl)acetic acid

2-(6-oxaspiro[3.5]nonan-7-yl)acetic acid (PubChem CID 126834701) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-(6-oxaspiro[3.5]nonan-7-yl)acetic acid.

Molecular Properties

Compound Name2-(6-oxaspiro[3.5]nonan-7-yl)acetic acid
PubChem CID126834701
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-(6-oxaspiro[3.5]nonan-7-yl)acetic acid
SMILESO=C(O)CC1CCC2(CCC2)CO1
InChIInChI=1S/C10H16O3/c11-9(12)6-8-2-5-10(7-13-8)3-1-4-10/h8H,1-7H2,(H,11,12)
InChIKeyMFSUARVATREQOU-UHFFFAOYSA-N
XLogP1.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 2-(6-oxaspiro[3.5]nonan-7-yl)acetic 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-Methyl-2-(oxan-2-yl)propanoic acid
CID 84717449
2-(6,6-Dimethyloxan-2-yl)acetic acid
CID 126971454
4-Decyl-4-hydroxyoxan-2-one
CID 44370950
[2,4'-Bioxane]-4'-carboxylic acid
CID 126827597
2-(5-Oxaspiro(2.5)octan-6-yl)acetic acid
CID 131585960
2-(3,3-Dimethyloxan-2-yl)acetic acid
CID 138040312
2-{6-Oxaspiro[2.5]octan-5-yl}acetic acid
CID 167726015
Decanoic acid, 3-hydroxy-2,2-dimethyl-, methyl ester
CID 10966321
3-(Hydroxymethyl)-3-methyl-1-oxaspiro[3.5]nonan-2-one
CID 372704
Ethyl 1-hydroxy-alpha,alpha-dimethylcyclohexaneacetate
CID 13296556
1-(1-Hydroxypentyl)cyclohexane-1-carboxylic acid
CID 18346773
6-(2,2-Dimethylpropyl)-4-hydroxyoxan-2-one
CID 59003855

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxaspiro[3.5]nonan-7-yl)acetic acid?
The IUPAC name of 2-(6-oxaspiro[3.5]nonan-7-yl)acetic acid (CID 126834701) is 2-(6-oxaspiro[3.5]nonan-7-yl)acetic acid.
What is the SMILES notation for 2-(6-oxaspiro[3.5]nonan-7-yl)acetic acid?
The canonical SMILES for 2-(6-oxaspiro[3.5]nonan-7-yl)acetic acid is O=C(O)CC1CCC2(CCC2)CO1.
What is the InChIKey of 2-(6-oxaspiro[3.5]nonan-7-yl)acetic acid?
The InChIKey is MFSUARVATREQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c11-9(12)6-8-2-5-10(7-13-8)3-1-4-10/h8H,1-7H2,(H,11,12).
What are the key properties of 2-(6-oxaspiro[3.5]nonan-7-yl)acetic acid?
2-(6-oxaspiro[3.5]nonan-7-yl)acetic acid has a molecular weight of 184.23 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxaspiro[3.5]nonan-7-yl)acetic acid is sourced from PubChem (CID 126834701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).