(3R)-2,2-dimethyl-5-oxooxolane-3-carboxylic acid

C7H10O4 — CID 736106

IUPAC(3R)-2,2-dimethyl-5-oxooxolane-3-carboxylic acid
SMILESCC1(C)OC(=O)C[C@H]1C(=O)O
InChIInChI=1S/C7H10O4/c1-7(2)4(6(9)10)3-5(8)11-7/h4H,3H2,1-2H3,(H,9,10)/t4-/m0/s1
InChIKeyUZBOWOQARWWIER-BYPYZUCNSA-N
MW158.15 g/mol
LogP0.41
Rot. Bonds1

About (3R)-2,2-dimethyl-5-oxooxolane-3-carboxylic acid

(3R)-2,2-dimethyl-5-oxooxolane-3-carboxylic acid (PubChem CID 736106) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is (3R)-2,2-dimethyl-5-oxooxolane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-2,2-dimethyl-5-oxooxolane-3-carboxylic acid
PubChem CID736106
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name(3R)-2,2-dimethyl-5-oxooxolane-3-carboxylic acid
SMILESCC1(C)OC(=O)C[C@H]1C(=O)O
InChIInChI=1S/C7H10O4/c1-7(2)4(6(9)10)3-5(8)11-7/h4H,3H2,1-2H3,(H,9,10)/t4-/m0/s1
InChIKeyUZBOWOQARWWIER-BYPYZUCNSA-N
XLogP0.41
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Terebic acid
CID 101540
5,5-Dimethyloxolane-3-carboxylic acid
CID 121582920
2,2-Dimethyloxolane-3-carboxylic acid
CID 21133941
(2R,3R,4S)-2,4-dimethyl-5-oxotetrahydrofuran-3-carboxylic acid
CID 102021603
(2S,3S,4R)-2,4-Dimethyl-5-oxotetrahydrofuran-3-carboxylic acid
CID 139586819
4-(2-Hydroxypropan-2-yl)-dihydrofuran-2(3h)-one
CID 12664709
2-Ethyl-2-methyl-5-oxo-tetrahydro-furan-3-carboxylic acid
CID 42648021
(S)-4-(Tert-butoxy)-2-isopropyl-4-oxobutanoic acid
CID 11769885
(R)-4-(Tert-butoxy)-2-isopropyl-4-oxobutanoic acid
CID 16057124
2-Ethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 155669877
(3S,4S,5R)-4,5-Dimethyl-2-oxo-5-(trifluoromethyl)tetrahydrofuran-3-carboxylic acid
CID 166159257
Methyl 2,2-dimethyl-5-oxooxolane-3-carboxylate
CID 12745784

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-dimethyl-5-oxooxolane-3-carboxylic acid?
The IUPAC name of (3R)-2,2-dimethyl-5-oxooxolane-3-carboxylic acid (CID 736106) is (3R)-2,2-dimethyl-5-oxooxolane-3-carboxylic acid.
What is the SMILES notation for (3R)-2,2-dimethyl-5-oxooxolane-3-carboxylic acid?
The canonical SMILES for (3R)-2,2-dimethyl-5-oxooxolane-3-carboxylic acid is CC1(C)OC(=O)C[C@H]1C(=O)O.
What is the InChIKey of (3R)-2,2-dimethyl-5-oxooxolane-3-carboxylic acid?
The InChIKey is UZBOWOQARWWIER-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H10O4/c1-7(2)4(6(9)10)3-5(8)11-7/h4H,3H2,1-2H3,(H,9,10)/t4-/m0/s1.
What are the key properties of (3R)-2,2-dimethyl-5-oxooxolane-3-carboxylic acid?
(3R)-2,2-dimethyl-5-oxooxolane-3-carboxylic acid has a molecular weight of 158.15 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2-dimethyl-5-oxooxolane-3-carboxylic acid is sourced from PubChem (CID 736106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).