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

C7H12O4 — CID 130941655

IUPAC3-hydroxy-2,5-dimethyloxolane-3-carboxylic acid
SMILESCC1CC(O)(C(=O)O)C(C)O1
InChIInChI=1S/C7H12O4/c1-4-3-7(10,6(8)9)5(2)11-4/h4-5,10H,3H2,1-2H3,(H,8,9)
InChIKeyVVDCRXPWUKTBAI-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.00
Rot. Bonds1

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

3-hydroxy-2,5-dimethyloxolane-3-carboxylic acid (PubChem CID 130941655) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 3-hydroxy-2,5-dimethyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-2,5-dimethyloxolane-3-carboxylic acid
PubChem CID130941655
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name3-hydroxy-2,5-dimethyloxolane-3-carboxylic acid
SMILESCC1CC(O)(C(=O)O)C(C)O1
InChIInChI=1S/C7H12O4/c1-4-3-7(10,6(8)9)5(2)11-4/h4-5,10H,3H2,1-2H3,(H,8,9)
InChIKeyVVDCRXPWUKTBAI-UHFFFAOYSA-N
XLogP-0.00
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 ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-3-(trifluoromethyl)oxolan-3-ol
CID 130977742
azane;carbonic acid;2-methyloxirane
CID 174941118
1-hydroxy-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 20515751
carbonic acid;1,1-dichloro-2-methylcyclopropane
CID 68873513
(1R)-1,2-dimethylcyclopropane-1-carboxylic acid
CID 69400955
(3S,5S)-3,5-dimethyloxolane-3-carboxylic acid
CID 125452595
trans-(1R,2R)-2-bromo-1-methylcyclopropane-1-carboxylic acid
CID 6355513
2,5-dimethyl-3-(propan-2-yloxymethyl)oxolan-3-ol
CID 127015507
cis-(1R,2R)-1-[(1R)-1-hydroxyethyl]-2-methylcyclopropane-1-carboxylic acid
CID 15362374
1,3-dimethyl-2-oxaspiro[4.5]decane
CID 58143079
4-amino-2-methyloxane-4-carboxylic acid
CID 10855758
1-hydroxy-2,5-dimethylcyclopentane-1-carboxylic acid
CID 83905293

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,5-dimethyloxolane-3-carboxylic acid?
The IUPAC name of 3-hydroxy-2,5-dimethyloxolane-3-carboxylic acid (CID 130941655) is 3-hydroxy-2,5-dimethyloxolane-3-carboxylic acid.
What is the SMILES notation for 3-hydroxy-2,5-dimethyloxolane-3-carboxylic acid?
The canonical SMILES for 3-hydroxy-2,5-dimethyloxolane-3-carboxylic acid is CC1CC(O)(C(=O)O)C(C)O1.
What is the InChIKey of 3-hydroxy-2,5-dimethyloxolane-3-carboxylic acid?
The InChIKey is VVDCRXPWUKTBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-4-3-7(10,6(8)9)5(2)11-4/h4-5,10H,3H2,1-2H3,(H,8,9).
What are the key properties of 3-hydroxy-2,5-dimethyloxolane-3-carboxylic acid?
3-hydroxy-2,5-dimethyloxolane-3-carboxylic acid has a molecular weight of 160.17 g/mol, XLogP of -0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,5-dimethyloxolane-3-carboxylic acid is sourced from PubChem (CID 130941655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).