1-[(2R,3S)-2,3,5-trimethyl-2,3-dihydrofuran-4-yl]ethanone

C9H14O2 — CID 130765246

IUPAC1-[(2R,3S)-2,3,5-trimethyl-2,3-dihydrofuran-4-yl]ethanone
SMILESCC(=O)C1=C(C)O[C@H](C)[C@H]1C
InChIInChI=1S/C9H14O2/c1-5-7(3)11-8(4)9(5)6(2)10/h5,7H,1-4H3/t5-,7-/m1/s1
InChIKeyOZQTVOUQLLXBPE-IYSWYEEDSA-N
MW154.21 g/mol
LogP1.90
Rot. Bonds1

About 1-[(2R,3S)-2,3,5-trimethyl-2,3-dihydrofuran-4-yl]ethanone

1-[(2R,3S)-2,3,5-trimethyl-2,3-dihydrofuran-4-yl]ethanone (PubChem CID 130765246) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-[(2R,3S)-2,3,5-trimethyl-2,3-dihydrofuran-4-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,3S)-2,3,5-trimethyl-2,3-dihydrofuran-4-yl]ethanone
PubChem CID130765246
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-[(2R,3S)-2,3,5-trimethyl-2,3-dihydrofuran-4-yl]ethanone
SMILESCC(=O)C1=C(C)O[C@H](C)[C@H]1C
InChIInChI=1S/C9H14O2/c1-5-7(3)11-8(4)9(5)6(2)10/h5,7H,1-4H3/t5-,7-/m1/s1
InChIKeyOZQTVOUQLLXBPE-IYSWYEEDSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2R,3S)-2,3,5-trimethyl-2,3-dihydrofuran-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2,3,4-trimethyl-2,3-dihydrofuran-5-carboxylic acid
CID 158374538
5-amino-2,3-dimethyl-2,3-dihydrofuran-4-carboxamide
CID 89300672
1-(2,5-dimethyl-4,5-dihydro-1,3-oxazol-4-yl)ethanone
CID 89210517
1-[(2R,5S)-2,3,4,5-tetramethylcyclopent-3-en-1-yl]ethanone
CID 59930804
[2-(hydroxyamino)-5-propan-2-ylphenyl] 2,3,5-trimethyl-2,3-dihydrofuran-4-carboxylate
CID 156877827
(3S,4S)-3,4-dimethyloxetan-2-one
CID 12501630
1-[5-methyl-2-[(Z)-prop-1-enyl]-1,3-dioxol-4-yl]ethanone
CID 134985667
1-[(2S)-2-ethynyl-5-methyl-2,3-dihydrofuran-4-yl]ethanone
CID 93493754
methyl (2S,3S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate
CID 95905953
methyl (2R,3S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate
CID 95905951
(2R)-N-ethyl-2,3,4-trimethyl-2,3-dihydrofuran-5-carboxamide
CID 140548394
1-[(2R,3S,4R)-3,4-dihydroxy-2-methyl-3,4-dihydro-2H-pyran-6-yl]ethanone
CID 67908335

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-2,3,5-trimethyl-2,3-dihydrofuran-4-yl]ethanone?
The IUPAC name of 1-[(2R,3S)-2,3,5-trimethyl-2,3-dihydrofuran-4-yl]ethanone (CID 130765246) is 1-[(2R,3S)-2,3,5-trimethyl-2,3-dihydrofuran-4-yl]ethanone.
What is the SMILES notation for 1-[(2R,3S)-2,3,5-trimethyl-2,3-dihydrofuran-4-yl]ethanone?
The canonical SMILES for 1-[(2R,3S)-2,3,5-trimethyl-2,3-dihydrofuran-4-yl]ethanone is CC(=O)C1=C(C)O[C@H](C)[C@H]1C.
What is the InChIKey of 1-[(2R,3S)-2,3,5-trimethyl-2,3-dihydrofuran-4-yl]ethanone?
The InChIKey is OZQTVOUQLLXBPE-IYSWYEEDSA-N. The full InChI is InChI=1S/C9H14O2/c1-5-7(3)11-8(4)9(5)6(2)10/h5,7H,1-4H3/t5-,7-/m1/s1.
What are the key properties of 1-[(2R,3S)-2,3,5-trimethyl-2,3-dihydrofuran-4-yl]ethanone?
1-[(2R,3S)-2,3,5-trimethyl-2,3-dihydrofuran-4-yl]ethanone has a molecular weight of 154.21 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-2,3,5-trimethyl-2,3-dihydrofuran-4-yl]ethanone is sourced from PubChem (CID 130765246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).