[(E)-2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenyl]sulfonylbenzene

C13H16O4S — CID 134854543

IUPAC[(E)-2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenyl]sulfonylbenzene
SMILESCOCO[C@@H]1CC1/C=C/S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H16O4S/c1-16-10-17-13-9-11(13)7-8-18(14,15)12-5-3-2-4-6-12/h2-8,11,13H,9-10H2,1H3/b8-7+/t11?,13-/m1/s1
InChIKeyKZYGZZLBLQJHQM-XTGTYUBZSA-N
MW268.33 g/mol
LogP1.98
Rot. Bonds6

About [(E)-2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenyl]sulfonylbenzene

[(E)-2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenyl]sulfonylbenzene (PubChem CID 134854543) has the molecular formula C13H16O4S and a molecular weight of 268.33 g/mol. Its IUPAC name is [(E)-2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenyl]sulfonylbenzene.

Molecular Properties

Compound Name[(E)-2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenyl]sulfonylbenzene
PubChem CID134854543
Molecular FormulaC13H16O4S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC Name[(E)-2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenyl]sulfonylbenzene
SMILESCOCO[C@@H]1CC1/C=C/S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H16O4S/c1-16-10-17-13-9-11(13)7-8-18(14,15)12-5-3-2-4-6-12/h2-8,11,13H,9-10H2,1H3/b8-7+/t11?,13-/m1/s1
InChIKeyKZYGZZLBLQJHQM-XTGTYUBZSA-N
XLogP1.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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[(E,3S)-3-(ethoxymethoxy)hept-1-en-6-ynyl]sulfonylbenzene
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[(2R)-4-(benzenesulfonyl)-1-ethoxycarbonyloxybutan-2-yl] ethyl carbonate
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Frequently Asked Questions

What is the IUPAC name of [(E)-2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenyl]sulfonylbenzene?
The IUPAC name of [(E)-2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenyl]sulfonylbenzene (CID 134854543) is [(E)-2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenyl]sulfonylbenzene.
What is the SMILES notation for [(E)-2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenyl]sulfonylbenzene?
The canonical SMILES for [(E)-2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenyl]sulfonylbenzene is COCO[C@@H]1CC1/C=C/S(=O)(=O)c1ccccc1.
What is the InChIKey of [(E)-2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenyl]sulfonylbenzene?
The InChIKey is KZYGZZLBLQJHQM-XTGTYUBZSA-N. The full InChI is InChI=1S/C13H16O4S/c1-16-10-17-13-9-11(13)7-8-18(14,15)12-5-3-2-4-6-12/h2-8,11,13H,9-10H2,1H3/b8-7+/t11?,13-/m1/s1.
What are the key properties of [(E)-2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenyl]sulfonylbenzene?
[(E)-2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenyl]sulfonylbenzene has a molecular weight of 268.33 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenyl]sulfonylbenzene is sourced from PubChem (CID 134854543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).