(2S)-2,3,4-trimethyl-2,3-dihydrofuran-5-carboxylic acid

C8H12O3 — CID 158374538

IUPAC(2S)-2,3,4-trimethyl-2,3-dihydrofuran-5-carboxylic acid
SMILESCC1=C(C(=O)O)O[C@@H](C)C1C
InChIInChI=1S/C8H12O3/c1-4-5(2)7(8(9)10)11-6(4)3/h4,6H,1-3H3,(H,9,10)/t4?,6-/m0/s1
InChIKeyGVALHEWXFNMFHG-RZKHNPSRSA-N
MW156.18 g/mol
LogP1.40
Rot. Bonds1

About (2S)-2,3,4-trimethyl-2,3-dihydrofuran-5-carboxylic acid

(2S)-2,3,4-trimethyl-2,3-dihydrofuran-5-carboxylic acid (PubChem CID 158374538) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (2S)-2,3,4-trimethyl-2,3-dihydrofuran-5-carboxylic acid.

Molecular Properties

Compound Name(2S)-2,3,4-trimethyl-2,3-dihydrofuran-5-carboxylic acid
PubChem CID158374538
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(2S)-2,3,4-trimethyl-2,3-dihydrofuran-5-carboxylic acid
SMILESCC1=C(C(=O)O)O[C@@H](C)C1C
InChIInChI=1S/C8H12O3/c1-4-5(2)7(8(9)10)11-6(4)3/h4,6H,1-3H3,(H,9,10)/t4?,6-/m0/s1
InChIKeyGVALHEWXFNMFHG-RZKHNPSRSA-N
XLogP1.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-ethyl-2,3,4-trimethyl-2,3-dihydrofuran-5-carboxamide
CID 140548394
1-[(2R,3S)-2,3,5-trimethyl-2,3-dihydrofuran-4-yl]ethanone
CID 130765246
[2-(2,4-dichloroanilino)phenyl] 2,3,4-trimethyl-2,3-dihydrofuran-5-carboxylate
CID 59274578
2-prop-1-en-2-yl-1,3-dioxole-4,5-dicarboxylic acid
CID 141006034
4-hydroxy-3-methyl-4H-pyran-2-carboxylic acid
CID 90979057
(3S,4S)-3,4-dimethyloxetan-2-one
CID 12501630
5-amino-2,3-dimethyl-2,3-dihydrofuran-4-carboxamide
CID 89300672
2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acid
CID 22721293
CID 70505229
CID 70505229
3,4,5-trimethyl-4,5-dihydro-1,3-oxazol-3-ium-2-carboxylic acid
CID 138678010
2,3,4,5-tetramethylcyclopenta-1,4-diene-1-carboxylic acid
CID 11805120
1-[(2R,5S)-2,3,4,5-tetramethylcyclopent-3-en-1-yl]ethanone
CID 59930804

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3,4-trimethyl-2,3-dihydrofuran-5-carboxylic acid?
The IUPAC name of (2S)-2,3,4-trimethyl-2,3-dihydrofuran-5-carboxylic acid (CID 158374538) is (2S)-2,3,4-trimethyl-2,3-dihydrofuran-5-carboxylic acid.
What is the SMILES notation for (2S)-2,3,4-trimethyl-2,3-dihydrofuran-5-carboxylic acid?
The canonical SMILES for (2S)-2,3,4-trimethyl-2,3-dihydrofuran-5-carboxylic acid is CC1=C(C(=O)O)O[C@@H](C)C1C.
What is the InChIKey of (2S)-2,3,4-trimethyl-2,3-dihydrofuran-5-carboxylic acid?
The InChIKey is GVALHEWXFNMFHG-RZKHNPSRSA-N. The full InChI is InChI=1S/C8H12O3/c1-4-5(2)7(8(9)10)11-6(4)3/h4,6H,1-3H3,(H,9,10)/t4?,6-/m0/s1.
What are the key properties of (2S)-2,3,4-trimethyl-2,3-dihydrofuran-5-carboxylic acid?
(2S)-2,3,4-trimethyl-2,3-dihydrofuran-5-carboxylic acid has a molecular weight of 156.18 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3,4-trimethyl-2,3-dihydrofuran-5-carboxylic acid is sourced from PubChem (CID 158374538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).