(5S)-5-methyl-5-[(2S,3R)-2-methyl-5-oxooxolan-3-yl]furan-2-one

C10H12O4 — CID 124661758

IUPAC(5S)-5-methyl-5-[(2S,3R)-2-methyl-5-oxooxolan-3-yl]furan-2-one
SMILESC[C@@H]1OC(=O)C[C@H]1[C@]1(C)C=CC(=O)O1
InChIInChI=1S/C10H12O4/c1-6-7(5-9(12)13-6)10(2)4-3-8(11)14-10/h3-4,6-7H,5H2,1-2H3/t6-,7+,10-/m0/s1
InChIKeyWSOHQHMMDVGALV-PJKMHFRUSA-N
MW196.20 g/mol
LogP0.81
Rot. Bonds1

About (5S)-5-methyl-5-[(2S,3R)-2-methyl-5-oxooxolan-3-yl]furan-2-one

(5S)-5-methyl-5-[(2S,3R)-2-methyl-5-oxooxolan-3-yl]furan-2-one (PubChem CID 124661758) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is (5S)-5-methyl-5-[(2S,3R)-2-methyl-5-oxooxolan-3-yl]furan-2-one.

Molecular Properties

Compound Name(5S)-5-methyl-5-[(2S,3R)-2-methyl-5-oxooxolan-3-yl]furan-2-one
PubChem CID124661758
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name(5S)-5-methyl-5-[(2S,3R)-2-methyl-5-oxooxolan-3-yl]furan-2-one
SMILESC[C@@H]1OC(=O)C[C@H]1[C@]1(C)C=CC(=O)O1
InChIInChI=1S/C10H12O4/c1-6-7(5-9(12)13-6)10(2)4-3-8(11)14-10/h3-4,6-7H,5H2,1-2H3/t6-,7+,10-/m0/s1
InChIKeyWSOHQHMMDVGALV-PJKMHFRUSA-N
XLogP0.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S)-5-methyl-5-[(2S,3R)-2-methyl-5-oxooxolan-3-yl]furan-2-one with MolForge

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Launch Full Analysis

Related Compounds

(1S,4R)-7-Oxa-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid dimethyl ester
CID 44351170
preclavulone lactone I
CID 5283237
Preclavulone lactone II
CID 5283238
(2S)-4-methyl-2-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]-2H-furan-5-one
CID 101413878
7-Oxabicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, dimethyl ester, (exo,exo)-
CID 99205
Dimethyl 7-oxabicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate
CID 304349
dimethyl (1S,2S,3R,4S)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 90679333
(2R)-4-methyl-2-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]-2H-furan-5-one
CID 162913068
(5R)-5-[(2S,3S)-5-oxo-2-(trifluoromethyl)oxolan-3-yl]-5-(trifluoromethyl)furan-2-one
CID 14976460
(5S)-5-[(2S,3S)-5-oxo-2-(trifluoromethyl)oxolan-3-yl]-5-(trifluoromethyl)furan-2-one
CID 14976461
methyl (2Z)-2-(4,5,5-trimethyl-2-oxooxolan-3-ylidene)acetate
CID 5970601
(3S,3aS,6aS)-3-Methyl-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-2-one
CID 85203902

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-[(2S,3R)-2-methyl-5-oxooxolan-3-yl]furan-2-one?
The IUPAC name of (5S)-5-methyl-5-[(2S,3R)-2-methyl-5-oxooxolan-3-yl]furan-2-one (CID 124661758) is (5S)-5-methyl-5-[(2S,3R)-2-methyl-5-oxooxolan-3-yl]furan-2-one.
What is the SMILES notation for (5S)-5-methyl-5-[(2S,3R)-2-methyl-5-oxooxolan-3-yl]furan-2-one?
The canonical SMILES for (5S)-5-methyl-5-[(2S,3R)-2-methyl-5-oxooxolan-3-yl]furan-2-one is C[C@@H]1OC(=O)C[C@H]1[C@]1(C)C=CC(=O)O1.
What is the InChIKey of (5S)-5-methyl-5-[(2S,3R)-2-methyl-5-oxooxolan-3-yl]furan-2-one?
The InChIKey is WSOHQHMMDVGALV-PJKMHFRUSA-N. The full InChI is InChI=1S/C10H12O4/c1-6-7(5-9(12)13-6)10(2)4-3-8(11)14-10/h3-4,6-7H,5H2,1-2H3/t6-,7+,10-/m0/s1.
What are the key properties of (5S)-5-methyl-5-[(2S,3R)-2-methyl-5-oxooxolan-3-yl]furan-2-one?
(5S)-5-methyl-5-[(2S,3R)-2-methyl-5-oxooxolan-3-yl]furan-2-one has a molecular weight of 196.20 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-[(2S,3R)-2-methyl-5-oxooxolan-3-yl]furan-2-one is sourced from PubChem (CID 124661758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).