[(2R)-4-(benzenesulfonyl)-1-ethoxycarbonyloxybutan-2-yl] ethyl carbonate

C16H22O8S — CID 11337799

IUPAC[(2R)-4-(benzenesulfonyl)-1-ethoxycarbonyloxybutan-2-yl] ethyl carbonate
SMILESCCOC(=O)OC[C@@H](CCS(=O)(=O)c1ccccc1)OC(=O)OCC
InChIInChI=1S/C16H22O8S/c1-3-21-15(17)23-12-13(24-16(18)22-4-2)10-11-25(19,20)14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3/t13-/m1/s1
InChIKeyGIAWCKVLHWIIOJ-CYBMUJFWSA-N
MW374.41 g/mol
LogP2.57
Rot. Bonds9

About [(2R)-4-(benzenesulfonyl)-1-ethoxycarbonyloxybutan-2-yl] ethyl carbonate

[(2R)-4-(benzenesulfonyl)-1-ethoxycarbonyloxybutan-2-yl] ethyl carbonate (PubChem CID 11337799) has the molecular formula C16H22O8S and a molecular weight of 374.41 g/mol. Its IUPAC name is [(2R)-4-(benzenesulfonyl)-1-ethoxycarbonyloxybutan-2-yl] ethyl carbonate.

Molecular Properties

Compound Name[(2R)-4-(benzenesulfonyl)-1-ethoxycarbonyloxybutan-2-yl] ethyl carbonate
PubChem CID11337799
Molecular FormulaC16H22O8S
Molecular Weight374.41 g/mol
Exact Mass374.10
IUPAC Name[(2R)-4-(benzenesulfonyl)-1-ethoxycarbonyloxybutan-2-yl] ethyl carbonate
SMILESCCOC(=O)OC[C@@H](CCS(=O)(=O)c1ccccc1)OC(=O)OCC
InChIInChI=1S/C16H22O8S/c1-3-21-15(17)23-12-13(24-16(18)22-4-2)10-11-25(19,20)14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3/t13-/m1/s1
InChIKeyGIAWCKVLHWIIOJ-CYBMUJFWSA-N
XLogP2.57
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Sulfone, 2-acetoxypropyl phenyl
CID 538760
Benzene, ((2,2-dimethoxyethyl)sulfonyl)-
CID 554535
[(3,3,3-Trimethoxypropyl)sulfonyl]benzene
CID 10901794
2-[3-(Benzenesulfonyl)propyl]-1,3-dioxolane
CID 11118676
4,4-Difluoro-4-(phenylsulfonyl)butyl methyl carbonate
CID 163297775
[(E)-2-[(1S,2R)-2-(methoxymethoxy)cyclopropyl]ethenyl]sulfonylbenzene
CID 11369195
4-Phenylthiomethyl-1,3-dioxolan-2-one
CID 11195172
2-(Benzenesulfonyl)heptan-3-yl acetate
CID 12776942
Tert-butyl (1-phenylthiolan-1-ium-3-yl) carbonate;trifluoromethanesulfonate
CID 18350122
Butyl (1-phenylthiolan-1-ium-3-yl) carbonate;trifluoromethanesulfonate
CID 18350141
Ethyl (1-phenylthiolan-1-ium-3-yl) carbonate;trifluoromethanesulfonate
CID 18350166
(1-Phenylthiolan-1-ium-3-yl) propan-2-yl carbonate;trifluoromethanesulfonate
CID 18350243

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-(benzenesulfonyl)-1-ethoxycarbonyloxybutan-2-yl] ethyl carbonate?
The IUPAC name of [(2R)-4-(benzenesulfonyl)-1-ethoxycarbonyloxybutan-2-yl] ethyl carbonate (CID 11337799) is [(2R)-4-(benzenesulfonyl)-1-ethoxycarbonyloxybutan-2-yl] ethyl carbonate.
What is the SMILES notation for [(2R)-4-(benzenesulfonyl)-1-ethoxycarbonyloxybutan-2-yl] ethyl carbonate?
The canonical SMILES for [(2R)-4-(benzenesulfonyl)-1-ethoxycarbonyloxybutan-2-yl] ethyl carbonate is CCOC(=O)OC[C@@H](CCS(=O)(=O)c1ccccc1)OC(=O)OCC.
What is the InChIKey of [(2R)-4-(benzenesulfonyl)-1-ethoxycarbonyloxybutan-2-yl] ethyl carbonate?
The InChIKey is GIAWCKVLHWIIOJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22O8S/c1-3-21-15(17)23-12-13(24-16(18)22-4-2)10-11-25(19,20)14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3/t13-/m1/s1.
What are the key properties of [(2R)-4-(benzenesulfonyl)-1-ethoxycarbonyloxybutan-2-yl] ethyl carbonate?
[(2R)-4-(benzenesulfonyl)-1-ethoxycarbonyloxybutan-2-yl] ethyl carbonate has a molecular weight of 374.41 g/mol, XLogP of 2.57, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-(benzenesulfonyl)-1-ethoxycarbonyloxybutan-2-yl] ethyl carbonate is sourced from PubChem (CID 11337799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).