2-[(3R)-4-(benzenesulfonyl)-2,3-dimethylbutan-2-yl]oxyoxolane

C16H24O4S — CID 139777358

IUPAC2-[(3R)-4-(benzenesulfonyl)-2,3-dimethylbutan-2-yl]oxyoxolane
SMILESC[C@@H](CS(=O)(=O)c1ccccc1)C(C)(C)OC1CCCO1
InChIInChI=1S/C16H24O4S/c1-13(16(2,3)20-15-10-7-11-19-15)12-21(17,18)14-8-5-4-6-9-14/h4-6,8-9,13,15H,7,10-12H2,1-3H3/t13-,15?/m0/s1
InChIKeyFTUFMMOSDCGZFH-CFMCSPIPSA-N
MW312.43 g/mol
LogP3.03
Rot. Bonds6

About 2-[(3R)-4-(benzenesulfonyl)-2,3-dimethylbutan-2-yl]oxyoxolane

2-[(3R)-4-(benzenesulfonyl)-2,3-dimethylbutan-2-yl]oxyoxolane (PubChem CID 139777358) has the molecular formula C16H24O4S and a molecular weight of 312.43 g/mol. Its IUPAC name is 2-[(3R)-4-(benzenesulfonyl)-2,3-dimethylbutan-2-yl]oxyoxolane.

Molecular Properties

Compound Name2-[(3R)-4-(benzenesulfonyl)-2,3-dimethylbutan-2-yl]oxyoxolane
PubChem CID139777358
Molecular FormulaC16H24O4S
Molecular Weight312.43 g/mol
Exact Mass312.14
IUPAC Name2-[(3R)-4-(benzenesulfonyl)-2,3-dimethylbutan-2-yl]oxyoxolane
SMILESC[C@@H](CS(=O)(=O)c1ccccc1)C(C)(C)OC1CCCO1
InChIInChI=1S/C16H24O4S/c1-13(16(2,3)20-15-10-7-11-19-15)12-21(17,18)14-8-5-4-6-9-14/h4-6,8-9,13,15H,7,10-12H2,1-3H3/t13-,15?/m0/s1
InChIKeyFTUFMMOSDCGZFH-CFMCSPIPSA-N
XLogP3.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(Benzenesulfonyl)propyl]-1,3-dioxolane
CID 11118676
[(E)-2-[(1S,2R)-2-(methoxymethoxy)cyclopropyl]ethenyl]sulfonylbenzene
CID 11369195
5-(benzenesulfonyl)-2-ethoxy-6-methyl-3,4-dihydro-2H-pyran
CID 14913023
5-(benzenesulfonyl)-6-methyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran
CID 72741045
1,3-Dioxolane, 2-[2-(phenylsulfonyl)ethyl]-
CID 11096791
(3R,4R,5R)-2-(benzenesulfonylmethyl)-5-(dimethoxymethyl)-3,4-dimethyloxolan-2-ol
CID 11824127
2-[3-(Benzenesulfonylmethyl)-4,4,4-trifluoro-2-methylbutan-2-yl]oxyoxane
CID 13988922
[4,4,4-Trifluoro-3-(methoxymethoxy)-2-methyl-3-(trifluoromethyl)butyl]sulfonylbenzene
CID 13988923
3,3,3-Triethoxypropylsulfonylbenzene
CID 2733117
2H-Pyran, 2-[1,1-dimethyl-3-(phenylsulfonyl)propoxy]tetrahydro-
CID 11045209
2-[(3S)-4-(benzenesulfonyl)-2,3-dimethylbutan-2-yl]oxyoxolane
CID 13964866
[(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpentyl]sulfonylbenzene
CID 10425254

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-(benzenesulfonyl)-2,3-dimethylbutan-2-yl]oxyoxolane?
The IUPAC name of 2-[(3R)-4-(benzenesulfonyl)-2,3-dimethylbutan-2-yl]oxyoxolane (CID 139777358) is 2-[(3R)-4-(benzenesulfonyl)-2,3-dimethylbutan-2-yl]oxyoxolane.
What is the SMILES notation for 2-[(3R)-4-(benzenesulfonyl)-2,3-dimethylbutan-2-yl]oxyoxolane?
The canonical SMILES for 2-[(3R)-4-(benzenesulfonyl)-2,3-dimethylbutan-2-yl]oxyoxolane is C[C@@H](CS(=O)(=O)c1ccccc1)C(C)(C)OC1CCCO1.
What is the InChIKey of 2-[(3R)-4-(benzenesulfonyl)-2,3-dimethylbutan-2-yl]oxyoxolane?
The InChIKey is FTUFMMOSDCGZFH-CFMCSPIPSA-N. The full InChI is InChI=1S/C16H24O4S/c1-13(16(2,3)20-15-10-7-11-19-15)12-21(17,18)14-8-5-4-6-9-14/h4-6,8-9,13,15H,7,10-12H2,1-3H3/t13-,15?/m0/s1.
What are the key properties of 2-[(3R)-4-(benzenesulfonyl)-2,3-dimethylbutan-2-yl]oxyoxolane?
2-[(3R)-4-(benzenesulfonyl)-2,3-dimethylbutan-2-yl]oxyoxolane has a molecular weight of 312.43 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-(benzenesulfonyl)-2,3-dimethylbutan-2-yl]oxyoxolane is sourced from PubChem (CID 139777358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).