[(E)-3-[(2R)-5-(benzenesulfonyl)-6-oxooxan-2-yl]prop-2-enyl] ethyl carbonate

C17H20O7S — CID 11360647

IUPAC[(E)-3-[(2R)-5-(benzenesulfonyl)-6-oxooxan-2-yl]prop-2-enyl] ethyl carbonate
SMILESCCOC(=O)OC/C=C/[C@H]1CCC(S(=O)(=O)c2ccccc2)C(=O)O1
InChIInChI=1S/C17H20O7S/c1-2-22-17(19)23-12-6-7-13-10-11-15(16(18)24-13)25(20,21)14-8-4-3-5-9-14/h3-9,13,15H,2,10-12H2,1H3/b7-6+/t13-,15?/m0/s1
InChIKeySRKVHCDXWQKUAO-FKMJJKCXSA-N
MW368.41 g/mol
LogP2.26
Rot. Bonds6

About [(E)-3-[(2R)-5-(benzenesulfonyl)-6-oxooxan-2-yl]prop-2-enyl] ethyl carbonate

[(E)-3-[(2R)-5-(benzenesulfonyl)-6-oxooxan-2-yl]prop-2-enyl] ethyl carbonate (PubChem CID 11360647) has the molecular formula C17H20O7S and a molecular weight of 368.41 g/mol. Its IUPAC name is [(E)-3-[(2R)-5-(benzenesulfonyl)-6-oxooxan-2-yl]prop-2-enyl] ethyl carbonate.

Molecular Properties

Compound Name[(E)-3-[(2R)-5-(benzenesulfonyl)-6-oxooxan-2-yl]prop-2-enyl] ethyl carbonate
PubChem CID11360647
Molecular FormulaC17H20O7S
Molecular Weight368.41 g/mol
Exact Mass368.09
IUPAC Name[(E)-3-[(2R)-5-(benzenesulfonyl)-6-oxooxan-2-yl]prop-2-enyl] ethyl carbonate
SMILESCCOC(=O)OC/C=C/[C@H]1CCC(S(=O)(=O)c2ccccc2)C(=O)O1
InChIInChI=1S/C17H20O7S/c1-2-22-17(19)23-12-6-7-13-10-11-15(16(18)24-13)25(20,21)14-8-4-3-5-9-14/h3-9,13,15H,2,10-12H2,1H3/b7-6+/t13-,15?/m0/s1
InChIKeySRKVHCDXWQKUAO-FKMJJKCXSA-N
XLogP2.26
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5R,6R)-5-(benzenesulfonyl)-6-[(E)-2-phenylethenyl]oxan-2-one
CID 50990859
(5R,6S)-5-(benzenesulfonyl)-6-[(E)-2-phenylethenyl]oxan-2-one
CID 50990860
5-(benzenesulfonyl)-6-[(E)-styryl]tetrahydropyran-2-one
CID 5824036
Ethyl 2-(benzenesulfonyl)hexanoate
CID 10379154
4-(benzenesulfonyl)-5-[(E)-prop-1-enyl]oxolan-2-one
CID 10355562
[(3R)-5-(benzenesulfonyl)-6-oxooxan-3-yl] ethyl carbonate
CID 11313432
[(E,2S,5R)-5-(benzenesulfonyl)hex-3-en-2-yl] acetate
CID 13382268
4-(Benzenesulfonyl)-6-methyloxan-2-one
CID 14056123
4-(Benzenesulfonyl)-6-hexyloxan-2-one
CID 14056124
5-(Benzenesulfonyl)-6-propyloxan-2-one
CID 14291362
5-(benzenesulfonyl)-6-[(E)-prop-1-enyl]oxan-2-one
CID 14291363
5-(Benzenesulfonyl)-6-heptyloxan-2-one
CID 14291364

Frequently Asked Questions

What is the IUPAC name of [(E)-3-[(2R)-5-(benzenesulfonyl)-6-oxooxan-2-yl]prop-2-enyl] ethyl carbonate?
The IUPAC name of [(E)-3-[(2R)-5-(benzenesulfonyl)-6-oxooxan-2-yl]prop-2-enyl] ethyl carbonate (CID 11360647) is [(E)-3-[(2R)-5-(benzenesulfonyl)-6-oxooxan-2-yl]prop-2-enyl] ethyl carbonate.
What is the SMILES notation for [(E)-3-[(2R)-5-(benzenesulfonyl)-6-oxooxan-2-yl]prop-2-enyl] ethyl carbonate?
The canonical SMILES for [(E)-3-[(2R)-5-(benzenesulfonyl)-6-oxooxan-2-yl]prop-2-enyl] ethyl carbonate is CCOC(=O)OC/C=C/[C@H]1CCC(S(=O)(=O)c2ccccc2)C(=O)O1.
What is the InChIKey of [(E)-3-[(2R)-5-(benzenesulfonyl)-6-oxooxan-2-yl]prop-2-enyl] ethyl carbonate?
The InChIKey is SRKVHCDXWQKUAO-FKMJJKCXSA-N. The full InChI is InChI=1S/C17H20O7S/c1-2-22-17(19)23-12-6-7-13-10-11-15(16(18)24-13)25(20,21)14-8-4-3-5-9-14/h3-9,13,15H,2,10-12H2,1H3/b7-6+/t13-,15?/m0/s1.
What are the key properties of [(E)-3-[(2R)-5-(benzenesulfonyl)-6-oxooxan-2-yl]prop-2-enyl] ethyl carbonate?
[(E)-3-[(2R)-5-(benzenesulfonyl)-6-oxooxan-2-yl]prop-2-enyl] ethyl carbonate has a molecular weight of 368.41 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[(2R)-5-(benzenesulfonyl)-6-oxooxan-2-yl]prop-2-enyl] ethyl carbonate is sourced from PubChem (CID 11360647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).