7-hydroxyspiro[2.4]heptane-2-carboxylic acid

C8H12O3 — CID 105430467

IUPAC7-hydroxyspiro[2.4]heptane-2-carboxylic acid
SMILESO=C(O)C1CC12CCCC2O
InChIInChI=1S/C8H12O3/c9-6-2-1-3-8(6)4-5(8)7(10)11/h5-6,9H,1-4H2,(H,10,11)
InChIKeyBHEIUVIQVZLDJB-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.62
Rot. Bonds1

About 7-hydroxyspiro[2.4]heptane-2-carboxylic acid

7-hydroxyspiro[2.4]heptane-2-carboxylic acid (PubChem CID 105430467) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 7-hydroxyspiro[2.4]heptane-2-carboxylic acid.

Molecular Properties

Compound Name7-hydroxyspiro[2.4]heptane-2-carboxylic acid
PubChem CID105430467
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name7-hydroxyspiro[2.4]heptane-2-carboxylic acid
SMILESO=C(O)C1CC12CCCC2O
InChIInChI=1S/C8H12O3/c9-6-2-1-3-8(6)4-5(8)7(10)11/h5-6,9H,1-4H2,(H,10,11)
InChIKeyBHEIUVIQVZLDJB-UHFFFAOYSA-N
XLogP0.62
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 8-hydroxyspiro[2.5]octane-2-carboxylate
CID 105441117
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(4S,5R)-spiro[4.5]decane-4,10-diol
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(4S,5R,12R)-spiro[4.7]dodecane-4,12-diol
CID 11127251
(5R,11S)-spiro[5.5]undecane-5,11-diol
CID 10997722
spiro[3.4]octane-8-carboxylic acid
CID 83905140
1-aminocyclopentane-1,2-dicarboxylic acid;azane
CID 54610731
(9S)-spiro[4.5]decane-9-carboxylic acid
CID 67991694
6-aminospiro[2.5]octane-2-carboxylic acid
CID 84653499
2-methoxycarbonylspiro[2.2]pentane-5-carboxylic acid
CID 82598117
(2R)-spiro[2.5]octane-2-carboxylic acid
CID 10419388
(1R,2R,5R,6R)-2-hydroxy-1,5-dimethylbicyclo[3.2.1]octane-6-carboxylic acid
CID 131115230

Frequently Asked Questions

What is the IUPAC name of 7-hydroxyspiro[2.4]heptane-2-carboxylic acid?
The IUPAC name of 7-hydroxyspiro[2.4]heptane-2-carboxylic acid (CID 105430467) is 7-hydroxyspiro[2.4]heptane-2-carboxylic acid.
What is the SMILES notation for 7-hydroxyspiro[2.4]heptane-2-carboxylic acid?
The canonical SMILES for 7-hydroxyspiro[2.4]heptane-2-carboxylic acid is O=C(O)C1CC12CCCC2O.
What is the InChIKey of 7-hydroxyspiro[2.4]heptane-2-carboxylic acid?
The InChIKey is BHEIUVIQVZLDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c9-6-2-1-3-8(6)4-5(8)7(10)11/h5-6,9H,1-4H2,(H,10,11).
What are the key properties of 7-hydroxyspiro[2.4]heptane-2-carboxylic acid?
7-hydroxyspiro[2.4]heptane-2-carboxylic acid has a molecular weight of 156.18 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxyspiro[2.4]heptane-2-carboxylic acid is sourced from PubChem (CID 105430467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).