2-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxyoxane

C16H20O4S — CID 11449696

IUPAC2-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxyoxane
SMILESO=S(=O)(/C=C/[C@@H]1C[C@H]1OC1CCCCO1)c1ccccc1
InChIInChI=1S/C16H20O4S/c17-21(18,14-6-2-1-3-7-14)11-9-13-12-15(13)20-16-8-4-5-10-19-16/h1-3,6-7,9,11,13,15-16H,4-5,8,10,12H2/b11-9+/t13-,15-,16?/m1/s1
InChIKeyYXXCYXDXENYKSO-UBYYCTNDSA-N
MW308.40 g/mol
LogP2.91
Rot. Bonds5

About 2-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxyoxane

2-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxyoxane (PubChem CID 11449696) has the molecular formula C16H20O4S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxyoxane.

Molecular Properties

Compound Name2-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxyoxane
PubChem CID11449696
Molecular FormulaC16H20O4S
Molecular Weight308.40 g/mol
Exact Mass308.11
IUPAC Name2-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxyoxane
SMILESO=S(=O)(/C=C/[C@@H]1C[C@H]1OC1CCCCO1)c1ccccc1
InChIInChI=1S/C16H20O4S/c17-21(18,14-6-2-1-3-7-14)11-9-13-12-15(13)20-16-8-4-5-10-19-16/h1-3,6-7,9,11,13,15-16H,4-5,8,10,12H2/b11-9+/t13-,15-,16?/m1/s1
InChIKeyYXXCYXDXENYKSO-UBYYCTNDSA-N
XLogP2.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(E)-2-[(1S,2R)-2-(methoxymethoxy)cyclopropyl]ethenyl]sulfonylbenzene
CID 11369195
2-[3-(Benzenesulfonylmethyl)-4,4,4-trifluoro-2-methylbutan-2-yl]oxyoxane
CID 13988922
2-(1-Phenylthiolan-1-ium-3-yl)oxyoxane;trifluoromethanesulfonate
CID 18350153
[3-(Oxan-2-yloxy)-1-phenylthiolan-1-yl] trifluoromethanesulfonate
CID 57233980
2-[2-(Benzenesulfonyl)-2-fluoroethyl]-5-butan-2-yloxy-1,4-dioxane
CID 151626620
2H-Pyran, 2-[1,1-dimethyl-3-(phenylsulfonyl)propoxy]tetrahydro-
CID 11045209
(2R,4R)-6-(benzenesulfonylmethyl)-4-methyl-2-propan-2-yloxy-3,4-dihydro-2H-pyran
CID 11109689
2-[2-(Benzenesulfonyl)ethyl]-1,3-dioxane
CID 66474369
(2-Methylidene-4,4-diethoxybutane-1-sulfonyl)-benzene
CID 129757661
[(E)-2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenyl]sulfonylbenzene
CID 134854543
2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenylsulfonylbenzene
CID 134861174
2-[5-(Benzenesulfinyl)-5-methoxypentoxy]oxane
CID 134879220

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxyoxane?
The IUPAC name of 2-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxyoxane (CID 11449696) is 2-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxyoxane.
What is the SMILES notation for 2-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxyoxane?
The canonical SMILES for 2-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxyoxane is O=S(=O)(/C=C/[C@@H]1C[C@H]1OC1CCCCO1)c1ccccc1.
What is the InChIKey of 2-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxyoxane?
The InChIKey is YXXCYXDXENYKSO-UBYYCTNDSA-N. The full InChI is InChI=1S/C16H20O4S/c17-21(18,14-6-2-1-3-7-14)11-9-13-12-15(13)20-16-8-4-5-10-19-16/h1-3,6-7,9,11,13,15-16H,4-5,8,10,12H2/b11-9+/t13-,15-,16?/m1/s1.
What are the key properties of 2-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxyoxane?
2-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxyoxane has a molecular weight of 308.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxyoxane is sourced from PubChem (CID 11449696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).