Terebic acid

C7H10O4 — CID 101540

IUPAC2,2-dimethyl-5-oxooxolane-3-carboxylic acid
SMILESCC1(C(CC(=O)O1)C(=O)O)C
InChIInChI=1S/C7H10O4/c1-7(2)4(6(9)10)3-5(8)11-7/h4H,3H2,1-2H3,(H,9,10)
InChIKeyUZBOWOQARWWIER-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.00
Rot. Bonds1

About Terebic acid

Terebic acid (PubChem CID 101540) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 2,2-dimethyl-5-oxooxolane-3-carboxylic acid.

Molecular Properties

Compound NameTerebic acid
PubChem CID101540
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name2,2-dimethyl-5-oxooxolane-3-carboxylic acid
SMILESCC1(C(CC(=O)O1)C(=O)O)C
InChIInChI=1S/C7H10O4/c1-7(2)4(6(9)10)3-5(8)11-7/h4H,3H2,1-2H3,(H,9,10)
InChIKeyUZBOWOQARWWIER-UHFFFAOYSA-N
XLogP0.00
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity206

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Terebic acid, (R)-
CID 736106
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 Terebic acid?
The IUPAC name of Terebic acid (CID 101540) is 2,2-dimethyl-5-oxooxolane-3-carboxylic acid.
What is the SMILES notation for Terebic acid?
The canonical SMILES for Terebic acid is CC1(C(CC(=O)O1)C(=O)O)C.
What is the InChIKey of Terebic acid?
The InChIKey is UZBOWOQARWWIER-UHFFFAOYSA-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).
What are the key properties of Terebic acid?
Terebic acid has a molecular weight of 158.15 g/mol, XLogP of 0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Terebic acid is sourced from PubChem (CID 101540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).