2-hydroxy-5,5-dimethyloxolane-3-carboxylic acid

C7H12O4 — CID 154982898

IUPAC2-hydroxy-5,5-dimethyloxolane-3-carboxylic acid
SMILESCC1(C)CC(C(=O)O)C(O)O1
InChIInChI=1S/C7H12O4/c1-7(2)3-4(5(8)9)6(10)11-7/h4,6,10H,3H2,1-2H3,(H,8,9)
InChIKeyNVWSKYABCWIPAU-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.20
Rot. Bonds1

About 2-hydroxy-5,5-dimethyloxolane-3-carboxylic acid

2-hydroxy-5,5-dimethyloxolane-3-carboxylic acid (PubChem CID 154982898) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-hydroxy-5,5-dimethyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-5,5-dimethyloxolane-3-carboxylic acid
PubChem CID154982898
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name2-hydroxy-5,5-dimethyloxolane-3-carboxylic acid
SMILESCC1(C)CC(C(=O)O)C(O)O1
InChIInChI=1S/C7H12O4/c1-7(2)3-4(5(8)9)6(10)11-7/h4,6,10H,3H2,1-2H3,(H,8,9)
InChIKeyNVWSKYABCWIPAU-UHFFFAOYSA-N
XLogP0.20
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate
CID 165353445
(2S,4R)-4-amino-6,6-dimethyloxane-2-carboxylic acid;hydrochloride
CID 178199921
1,2-dimethylcyclobutane-1,3-dicarboxylic acid
CID 155059571
(1R)-1,2-dimethylcyclopropane-1-carboxylic acid
CID 69400955
[(3S)-3,5,5-trimethyloxolan-2-yl] acetate
CID 100974772
cis-(1R,2S)-2-amino-4,4-dimethylcyclopentane-1-carboxylic acid;hydrochloride
CID 45262222
4-methyl-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 102744923
6-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 102743089
(2S)-2-methylcyclopropane-1-carboxylic acid
CID 70278837
trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid
CID 6995705
4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-2-carboxylic acid
CID 114621834
(1S,2R,3R,5S)-5-hydroxy-3,5-dimethylcyclohexane-1,2-dicarboxylic acid
CID 101073122

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5,5-dimethyloxolane-3-carboxylic acid?
The IUPAC name of 2-hydroxy-5,5-dimethyloxolane-3-carboxylic acid (CID 154982898) is 2-hydroxy-5,5-dimethyloxolane-3-carboxylic acid.
What is the SMILES notation for 2-hydroxy-5,5-dimethyloxolane-3-carboxylic acid?
The canonical SMILES for 2-hydroxy-5,5-dimethyloxolane-3-carboxylic acid is CC1(C)CC(C(=O)O)C(O)O1.
What is the InChIKey of 2-hydroxy-5,5-dimethyloxolane-3-carboxylic acid?
The InChIKey is NVWSKYABCWIPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-7(2)3-4(5(8)9)6(10)11-7/h4,6,10H,3H2,1-2H3,(H,8,9).
What are the key properties of 2-hydroxy-5,5-dimethyloxolane-3-carboxylic acid?
2-hydroxy-5,5-dimethyloxolane-3-carboxylic acid has a molecular weight of 160.17 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5,5-dimethyloxolane-3-carboxylic acid is sourced from PubChem (CID 154982898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).