(3R)-2,2-dimethyl-5-oxooxolane-3-carboxylate

C7H9O4- — CID 6931352

IUPAC(3R)-2,2-dimethyl-5-oxooxolane-3-carboxylate
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)/p-1/t4-/m0/s1
InChIKeyUZBOWOQARWWIER-BYPYZUCNSA-M
MW157.14 g/mol
LogP-0.92
Rot. Bonds1

About (3R)-2,2-dimethyl-5-oxooxolane-3-carboxylate

(3R)-2,2-dimethyl-5-oxooxolane-3-carboxylate (PubChem CID 6931352) has the molecular formula C7H9O4- and a molecular weight of 157.14 g/mol. Its IUPAC name is (3R)-2,2-dimethyl-5-oxooxolane-3-carboxylate.

Molecular Properties

Compound Name(3R)-2,2-dimethyl-5-oxooxolane-3-carboxylate
PubChem CID6931352
Molecular FormulaC7H9O4-
Molecular Weight157.14 g/mol
Exact Mass157.05
IUPAC Name(3R)-2,2-dimethyl-5-oxooxolane-3-carboxylate
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)/p-1/t4-/m0/s1
InChIKeyUZBOWOQARWWIER-BYPYZUCNSA-M
XLogP-0.92
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.14
LogP ≤ 5-0.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-2,2-dimethyl-5-oxo-N-phenyloxolane-3-carboxamide
CID 929902
(4S,5R)-5-hydroxy-4,6,6-trimethyloxan-2-one
CID 13412067
2,2-dimethyl-N-(2-methylphenyl)-5-oxooxolane-3-carboxamide
CID 2942110
(3R)-2,2-dimethyl-5-oxo-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide
CID 97425366
(3S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide
CID 97423927
(3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide
CID 97425770
(2R)-2-[(3R)-2,2-dimethyl-5-oxooxolan-3-yl]-2-hydroxyacetic acid
CID 102133203
2,2-dimethyl-5-oxo-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide
CID 75464557
6-oxo-5-oxaspiro[3.4]octane-8-carboxylic acid
CID 166444205
N-[2-(4-bromophenoxy)ethyl]-2,2-dimethyl-5-oxooxolane-3-carboxamide
CID 102552786
(4R)-5,5-dimethyl-4-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]oxolan-2-one
CID 100819553
sodium 3,3-dimethyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 23699398

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-dimethyl-5-oxooxolane-3-carboxylate?
The IUPAC name of (3R)-2,2-dimethyl-5-oxooxolane-3-carboxylate (CID 6931352) is (3R)-2,2-dimethyl-5-oxooxolane-3-carboxylate.
What is the SMILES notation for (3R)-2,2-dimethyl-5-oxooxolane-3-carboxylate?
The canonical SMILES for (3R)-2,2-dimethyl-5-oxooxolane-3-carboxylate is CC1(C)OC(=O)C[C@H]1C(=O)[O-].
What is the InChIKey of (3R)-2,2-dimethyl-5-oxooxolane-3-carboxylate?
The InChIKey is UZBOWOQARWWIER-BYPYZUCNSA-M. 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)/p-1/t4-/m0/s1.
What are the key properties of (3R)-2,2-dimethyl-5-oxooxolane-3-carboxylate?
(3R)-2,2-dimethyl-5-oxooxolane-3-carboxylate has a molecular weight of 157.14 g/mol, XLogP of -0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2-dimethyl-5-oxooxolane-3-carboxylate is sourced from PubChem (CID 6931352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).