(2R,6R)-4,4-bis(benzenesulfonyl)-2-ethenyl-6-[(2S)-2-methyloxolan-2-yl]oxane

C24H28O6S2 — CID 101488448

IUPAC(2R,6R)-4,4-bis(benzenesulfonyl)-2-ethenyl-6-[(2S)-2-methyloxolan-2-yl]oxane
SMILESC=C[C@H]1CC(S(=O)(=O)c2ccccc2)(S(=O)(=O)c2ccccc2)C[C@H]([C@]2(C)CCCO2)O1
InChIInChI=1S/C24H28O6S2/c1-3-19-17-24(31(25,26)20-11-6-4-7-12-20,32(27,28)21-13-8-5-9-14-21)18-22(30-19)23(2)15-10-16-29-23/h3-9,11-14,19,22H,1,10,15-18H2,2H3/t19-,22+,23-/m0/s1
InChIKeyORZJCPJYBWLYIA-PMOQBDJRSA-N
MW476.62 g/mol
LogP3.93
Rot. Bonds6

About (2R,6R)-4,4-bis(benzenesulfonyl)-2-ethenyl-6-[(2S)-2-methyloxolan-2-yl]oxane

(2R,6R)-4,4-bis(benzenesulfonyl)-2-ethenyl-6-[(2S)-2-methyloxolan-2-yl]oxane (PubChem CID 101488448) has the molecular formula C24H28O6S2 and a molecular weight of 476.62 g/mol. Its IUPAC name is (2R,6R)-4,4-bis(benzenesulfonyl)-2-ethenyl-6-[(2S)-2-methyloxolan-2-yl]oxane.

Molecular Properties

Compound Name(2R,6R)-4,4-bis(benzenesulfonyl)-2-ethenyl-6-[(2S)-2-methyloxolan-2-yl]oxane
PubChem CID101488448
Molecular FormulaC24H28O6S2
Molecular Weight476.62 g/mol
Exact Mass476.13
IUPAC Name(2R,6R)-4,4-bis(benzenesulfonyl)-2-ethenyl-6-[(2S)-2-methyloxolan-2-yl]oxane
SMILESC=C[C@H]1CC(S(=O)(=O)c2ccccc2)(S(=O)(=O)c2ccccc2)C[C@H]([C@]2(C)CCCO2)O1
InChIInChI=1S/C24H28O6S2/c1-3-19-17-24(31(25,26)20-11-6-4-7-12-20,32(27,28)21-13-8-5-9-14-21)18-22(30-19)23(2)15-10-16-29-23/h3-9,11-14,19,22H,1,10,15-18H2,2H3/t19-,22+,23-/m0/s1
InChIKeyORZJCPJYBWLYIA-PMOQBDJRSA-N
XLogP3.93
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(7R)-9-[(2S)-1-(benzenesulfonyl)propan-2-yl]-7-[2-(2-ethoxyethoxy)ethyl]-10-oxa-1,4-dithiaspiro[4.5]decane
CID 134847181
(2R,3S,5R)-2-[(2R)-1-(benzenesulfonyl)propan-2-yl]-5-(1-methoxyethyl)-3-methyloxolane
CID 134973582
(4R)-2-[(3R)-3-(benzenesulfonylmethyl)oxolan-2-yl]-4-methyl-3-methylideneoxane
CID 146504958
(1R,2S,5S,6S,7S)-7-(benzenesulfonyl)-2,6,7-trimethyl-2-phenylmethoxy-8-oxabicyclo[3.2.1]octane
CID 10046558
(1S,2S,5S,6S,7R)-6-(benzenesulfonyl)-2,7-dimethyl-2-phenylmethoxy-8-oxabicyclo[3.2.1]octane
CID 10340133
(1R,2S,5S,6S,7R)-7-(benzenesulfonyl)-2,6,7-trimethyl-2-phenylmethoxy-8-oxabicyclo[3.2.1]octane
CID 10363630
(1S,2S,5S,6R,7R)-6-(benzenesulfonyl)-2,7-dimethyl-2-phenylmethoxy-8-oxabicyclo[3.2.1]octane
CID 10385502
(1R,2S,5S,6S,7S)-7-(benzenesulfonyl)-7-deuterio-2,6-dimethyl-2-phenylmethoxy-8-oxabicyclo[3.2.1]octane
CID 10430321
(1R,2S,5S,6S,7S)-7-(benzenesulfonyl)-2,6-dimethyl-2-phenylmethoxy-8-oxabicyclo[3.2.1]octane
CID 10452754
(2R,3S,6S)-4,4-bis(benzenesulfonyl)-3-ethenyl-2-ethyl-6-hexyloxane
CID 11027552
(2S,3R,6S)-4,4-bis(benzenesulfonyl)-3-ethenyl-2-ethyl-6-hexyloxane
CID 11060226
(2R,3S,5R)-2-[(2R)-1-(benzenesulfonyl)propan-2-yl]-5-[(1S)-1-methoxyethyl]-3-methyloxolane
CID 11067376

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4,4-bis(benzenesulfonyl)-2-ethenyl-6-[(2S)-2-methyloxolan-2-yl]oxane?
The IUPAC name of (2R,6R)-4,4-bis(benzenesulfonyl)-2-ethenyl-6-[(2S)-2-methyloxolan-2-yl]oxane (CID 101488448) is (2R,6R)-4,4-bis(benzenesulfonyl)-2-ethenyl-6-[(2S)-2-methyloxolan-2-yl]oxane.
What is the SMILES notation for (2R,6R)-4,4-bis(benzenesulfonyl)-2-ethenyl-6-[(2S)-2-methyloxolan-2-yl]oxane?
The canonical SMILES for (2R,6R)-4,4-bis(benzenesulfonyl)-2-ethenyl-6-[(2S)-2-methyloxolan-2-yl]oxane is C=C[C@H]1CC(S(=O)(=O)c2ccccc2)(S(=O)(=O)c2ccccc2)C[C@H]([C@]2(C)CCCO2)O1.
What is the InChIKey of (2R,6R)-4,4-bis(benzenesulfonyl)-2-ethenyl-6-[(2S)-2-methyloxolan-2-yl]oxane?
The InChIKey is ORZJCPJYBWLYIA-PMOQBDJRSA-N. The full InChI is InChI=1S/C24H28O6S2/c1-3-19-17-24(31(25,26)20-11-6-4-7-12-20,32(27,28)21-13-8-5-9-14-21)18-22(30-19)23(2)15-10-16-29-23/h3-9,11-14,19,22H,1,10,15-18H2,2H3/t19-,22+,23-/m0/s1.
What are the key properties of (2R,6R)-4,4-bis(benzenesulfonyl)-2-ethenyl-6-[(2S)-2-methyloxolan-2-yl]oxane?
(2R,6R)-4,4-bis(benzenesulfonyl)-2-ethenyl-6-[(2S)-2-methyloxolan-2-yl]oxane has a molecular weight of 476.62 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4,4-bis(benzenesulfonyl)-2-ethenyl-6-[(2S)-2-methyloxolan-2-yl]oxane is sourced from PubChem (CID 101488448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).