6-oxaspiro[3.4]octane-2-carboxylic acid

C8H12O3 — CID 56962177

IUPAC6-oxaspiro[3.4]octane-2-carboxylic acid
SMILESO=C(O)C1CC2(CCOC2)C1
InChIInChI=1S/C8H12O3/c9-7(10)6-3-8(4-6)1-2-11-5-8/h6H,1-5H2,(H,9,10)
InChIKeyKDDKTJSXBBUAGK-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.89
Rot. Bonds1

About 6-oxaspiro[3.4]octane-2-carboxylic acid

6-oxaspiro[3.4]octane-2-carboxylic acid (PubChem CID 56962177) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 6-oxaspiro[3.4]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-oxaspiro[3.4]octane-2-carboxylic acid
PubChem CID56962177
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name6-oxaspiro[3.4]octane-2-carboxylic acid
SMILESO=C(O)C1CC2(CCOC2)C1
InChIInChI=1S/C8H12O3/c9-7(10)6-3-8(4-6)1-2-11-5-8/h6H,1-5H2,(H,9,10)
InChIKeyKDDKTJSXBBUAGK-UHFFFAOYSA-N
XLogP0.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Oxolan-3-yl)propanoic acid
CID 284090
7-Oxaspiro(3.5)nonane-2-carboxylic acid
CID 56962174
2-Methyl-3-(oxolan-3-yl)propanoic acid
CID 79418831
2,2-Dimethyl-3-(oxolan-3-yl)propanoic acid
CID 79425561
(1S,5R,6S,7R)-6-methyl-3-oxabicyclo[3.2.0]heptane-6,7-dicarboxylic acid
CID 164670480
2-Fluoro-2-methyl-3-(oxolan-3-yl)propanoic acid
CID 105436397
Methyl (1S,3R)-3-(hydroxymethyl)-2,2-dimethylcyclobutane-1-carboxylate
CID 44631749
3-(4,4-Dimethyl-2-oxooxolan-3-yl)propanoic acid
CID 68054013
cis-(1S,3R)-3-butoxycarbonyl-2,2-dimethylcyclobutane-1-carboxylic acid
CID 70803894
cis-(1R,3S)-3-butoxycarbonyl-2,2-dimethylcyclobutane-1-carboxylic acid
CID 90264909
7-Oxaspiro[3.5]nonane-1-carboxylic acid
CID 105434434
(3R)-7-oxaspiro[3.5]nonane-3-carboxylic acid
CID 125041561

Frequently Asked Questions

What is the IUPAC name of 6-oxaspiro[3.4]octane-2-carboxylic acid?
The IUPAC name of 6-oxaspiro[3.4]octane-2-carboxylic acid (CID 56962177) is 6-oxaspiro[3.4]octane-2-carboxylic acid.
What is the SMILES notation for 6-oxaspiro[3.4]octane-2-carboxylic acid?
The canonical SMILES for 6-oxaspiro[3.4]octane-2-carboxylic acid is O=C(O)C1CC2(CCOC2)C1.
What is the InChIKey of 6-oxaspiro[3.4]octane-2-carboxylic acid?
The InChIKey is KDDKTJSXBBUAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c9-7(10)6-3-8(4-6)1-2-11-5-8/h6H,1-5H2,(H,9,10).
What are the key properties of 6-oxaspiro[3.4]octane-2-carboxylic acid?
6-oxaspiro[3.4]octane-2-carboxylic acid has a molecular weight of 156.18 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxaspiro[3.4]octane-2-carboxylic acid is sourced from PubChem (CID 56962177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).