(2S)-2,3,4-trimethyl-2H-furan-5-one

C7H10O2 — CID 92974419

IUPAC(2S)-2,3,4-trimethyl-2H-furan-5-one
SMILESCC1=C(C)[C@H](C)OC1=O
InChIInChI=1S/C7H10O2/c1-4-5(2)7(8)9-6(4)3/h6H,1-3H3/t6-/m0/s1
InChIKeyOSFZDFIHIYXIEL-LURJTMIESA-N
MW126.15 g/mol
LogP1.27
Rot. Bonds

About (2S)-2,3,4-trimethyl-2H-furan-5-one

(2S)-2,3,4-trimethyl-2H-furan-5-one (PubChem CID 92974419) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (2S)-2,3,4-trimethyl-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2,3,4-trimethyl-2H-furan-5-one
PubChem CID92974419
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(2S)-2,3,4-trimethyl-2H-furan-5-one
SMILESCC1=C(C)[C@H](C)OC1=O
InChIInChI=1S/C7H10O2/c1-4-5(2)7(8)9-6(4)3/h6H,1-3H3/t6-/m0/s1
InChIKeyOSFZDFIHIYXIEL-LURJTMIESA-N
XLogP1.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dimethylfuran-2(5H)-one
CID 318158
3,4-Dimethyl-2,5-dihydrofuran-2-one
CID 338812
3-Ethyl-4-methyl-2,5-dihydrofuran-2,5-dione
CID 77091
3,4,5-trimethylfuran-2(5H)-one
CID 9898826
Isopropyl 2-methyl-2E-pentenoate
CID 15071057
2(5H)-Furanone, 4-hydroxy-3,5-dimethyl-
CID 54698897
3,4,5,5-Tetramethylfuran-2-one
CID 292845
(2R)-2,3,4-trimethyl-2H-furan-5-one
CID 5324906
4,5-Dimethyl-2(5h)-furanone
CID 12200171
3-ethyl-5-methyl-2(5H)-furanone
CID 12320139
3-ethyl-4-methyl-5H-furan-2-one
CID 24975321
ethyl (2E)-2-(oxolan-2-ylidene)propanoate
CID 12101790

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3,4-trimethyl-2H-furan-5-one?
The IUPAC name of (2S)-2,3,4-trimethyl-2H-furan-5-one (CID 92974419) is (2S)-2,3,4-trimethyl-2H-furan-5-one.
What is the SMILES notation for (2S)-2,3,4-trimethyl-2H-furan-5-one?
The canonical SMILES for (2S)-2,3,4-trimethyl-2H-furan-5-one is CC1=C(C)[C@H](C)OC1=O.
What is the InChIKey of (2S)-2,3,4-trimethyl-2H-furan-5-one?
The InChIKey is OSFZDFIHIYXIEL-LURJTMIESA-N. The full InChI is InChI=1S/C7H10O2/c1-4-5(2)7(8)9-6(4)3/h6H,1-3H3/t6-/m0/s1.
What are the key properties of (2S)-2,3,4-trimethyl-2H-furan-5-one?
(2S)-2,3,4-trimethyl-2H-furan-5-one has a molecular weight of 126.15 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3,4-trimethyl-2H-furan-5-one is sourced from PubChem (CID 92974419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).