2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenylsulfonylbenzene

C13H16O4S — CID 134861174

IUPAC2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenylsulfonylbenzene
SMILESCOCO[C@@H]1CC1C=CS(=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/t11?,13-/m1/s1
InChIKeyKZYGZZLBLQJHQM-GLGOKHISSA-N
MW268.33 g/mol
LogP1.98
Rot. Bonds6

About 2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenylsulfonylbenzene

2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenylsulfonylbenzene (PubChem CID 134861174) has the molecular formula C13H16O4S and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenylsulfonylbenzene.

Molecular Properties

Compound Name2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenylsulfonylbenzene
PubChem CID134861174
Molecular FormulaC13H16O4S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC Name2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenylsulfonylbenzene
SMILESCOCO[C@@H]1CC1C=CS(=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/t11?,13-/m1/s1
InChIKeyKZYGZZLBLQJHQM-GLGOKHISSA-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

N-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]-1,1-diphenylmethanimine
CID 11153430
(E,1S)-2-(benzenesulfonyl)-N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(1S,2R)-2-(methoxymethoxy)cyclopropyl]prop-2-en-1-amine
CID 11569368
[(E)-2-ethoxyethenyl]sulfonylbenzene
CID 13177777
methyl (E)-4-(benzenesulfonyl)but-3-enoate
CID 134877326
(1S)-2-(benzenesulfonyl)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(1S,2R)-2-(methoxymethoxy)cyclopropyl]propan-1-amine
CID 11639918
(4R)-4-[(Z)-2-(benzenesulfonyl)ethenyl]-2,2-diethyl-1,3-dioxolane
CID 11120018
(2E,4Z)-5-(benzenesulfonyl)penta-2,4-dien-1-ol
CID 100930005
(3R,4S,6S,9aS)-6-(benzenesulfonylmethyl)-3-(methoxymethoxy)-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 10523011
1-[(E)-3-(benzenesulfonyl)prop-2-enyl]-4-methoxybenzene
CID 138974571
[(E,3S)-3-(2-methoxyethoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene
CID 15935898
tert-butyl (2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]pyrrolidine-1-carboxylate
CID 10711993
[(E)-4-deuteriobut-1-enyl]sulfonylbenzene
CID 10655536

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenylsulfonylbenzene?
The IUPAC name of 2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenylsulfonylbenzene (CID 134861174) is 2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenylsulfonylbenzene.
What is the SMILES notation for 2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenylsulfonylbenzene?
The canonical SMILES for 2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenylsulfonylbenzene is COCO[C@@H]1CC1C=CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenylsulfonylbenzene?
The InChIKey is KZYGZZLBLQJHQM-GLGOKHISSA-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/t11?,13-/m1/s1.
What are the key properties of 2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenylsulfonylbenzene?
2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenylsulfonylbenzene 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 2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenylsulfonylbenzene is sourced from PubChem (CID 134861174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).