(5R)-2,2-dimethyl-5-phenyl-4-phenylsulfanyloxolan-3-one

C18H18O2S — CID 134877399

IUPAC(5R)-2,2-dimethyl-5-phenyl-4-phenylsulfanyloxolan-3-one
SMILESCC1(C)O[C@H](c2ccccc2)C(Sc2ccccc2)C1=O
InChIInChI=1S/C18H18O2S/c1-18(2)17(19)16(21-14-11-7-4-8-12-14)15(20-18)13-9-5-3-6-10-13/h3-12,15-16H,1-2H3/t15-,16?/m1/s1
InChIKeyQOCAVUBVVOJKJY-AAFJCEBUSA-N
MW298.41 g/mol
LogP4.27
Rot. Bonds3

About (5R)-2,2-dimethyl-5-phenyl-4-phenylsulfanyloxolan-3-one

(5R)-2,2-dimethyl-5-phenyl-4-phenylsulfanyloxolan-3-one (PubChem CID 134877399) has the molecular formula C18H18O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is (5R)-2,2-dimethyl-5-phenyl-4-phenylsulfanyloxolan-3-one.

Molecular Properties

Compound Name(5R)-2,2-dimethyl-5-phenyl-4-phenylsulfanyloxolan-3-one
PubChem CID134877399
Molecular FormulaC18H18O2S
Molecular Weight298.41 g/mol
Exact Mass298.10
IUPAC Name(5R)-2,2-dimethyl-5-phenyl-4-phenylsulfanyloxolan-3-one
SMILESCC1(C)O[C@H](c2ccccc2)C(Sc2ccccc2)C1=O
InChIInChI=1S/C18H18O2S/c1-18(2)17(19)16(21-14-11-7-4-8-12-14)15(20-18)13-9-5-3-6-10-13/h3-12,15-16H,1-2H3/t15-,16?/m1/s1
InChIKeyQOCAVUBVVOJKJY-AAFJCEBUSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-6-(3-methylbutyl)-6-phenyl-3-(phenylsulfanyl)-5,6-dihydro-2H-pyran-2-one
CID 53787758
Tetramic acid, 72
CID 91899482
Tetramic acid, 74
CID 91899483
Tetramic acid, 76
CID 91899484
2,2-Dimethyl-5-(4-(methylthio)phenyl)-4-phenylfuran-3(2h)-one
CID 18386116
1-Benzyloxy-8,11,11-trimethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one
CID 131636
1-Benzyloxy-4,8,11,11-tetramethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one
CID 3083131
1-Oxaspiro[4.5]decan-4-one, 2-phenyl-
CID 2833962
5-Methoxy-2,2-dimethyl-6-phenyl-6-phenylsulfanylhexan-3-one
CID 14227219
(2-Oxo-1-phenyl-2-phenylsulfanylethyl) acetate
CID 24972413
[2-(4-Methylphenyl)sulfanyl-2-oxo-1-phenylethyl] acetate
CID 134907614
2,2-Dimethyl-5,5-diphenyltetrahydrofuran-3-one
CID 12282969

Frequently Asked Questions

What is the IUPAC name of (5R)-2,2-dimethyl-5-phenyl-4-phenylsulfanyloxolan-3-one?
The IUPAC name of (5R)-2,2-dimethyl-5-phenyl-4-phenylsulfanyloxolan-3-one (CID 134877399) is (5R)-2,2-dimethyl-5-phenyl-4-phenylsulfanyloxolan-3-one.
What is the SMILES notation for (5R)-2,2-dimethyl-5-phenyl-4-phenylsulfanyloxolan-3-one?
The canonical SMILES for (5R)-2,2-dimethyl-5-phenyl-4-phenylsulfanyloxolan-3-one is CC1(C)O[C@H](c2ccccc2)C(Sc2ccccc2)C1=O.
What is the InChIKey of (5R)-2,2-dimethyl-5-phenyl-4-phenylsulfanyloxolan-3-one?
The InChIKey is QOCAVUBVVOJKJY-AAFJCEBUSA-N. The full InChI is InChI=1S/C18H18O2S/c1-18(2)17(19)16(21-14-11-7-4-8-12-14)15(20-18)13-9-5-3-6-10-13/h3-12,15-16H,1-2H3/t15-,16?/m1/s1.
What are the key properties of (5R)-2,2-dimethyl-5-phenyl-4-phenylsulfanyloxolan-3-one?
(5R)-2,2-dimethyl-5-phenyl-4-phenylsulfanyloxolan-3-one has a molecular weight of 298.41 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,2-dimethyl-5-phenyl-4-phenylsulfanyloxolan-3-one is sourced from PubChem (CID 134877399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).