[(E)-3-(methoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene

C14H20O4S — CID 134879366

IUPAC[(E)-3-(methoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene
SMILESCOCOC(/C=C/S(=O)(=O)c1ccccc1)C(C)C
InChIInChI=1S/C14H20O4S/c1-12(2)14(18-11-17-3)9-10-19(15,16)13-7-5-4-6-8-13/h4-10,12,14H,11H2,1-3H3/b10-9+
InChIKeyUBPTVSKDPNXTBT-MDZDMXLPSA-N
MW284.38 g/mol
LogP2.62
Rot. Bonds7

About [(E)-3-(methoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene

[(E)-3-(methoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene (PubChem CID 134879366) has the molecular formula C14H20O4S and a molecular weight of 284.38 g/mol. Its IUPAC name is [(E)-3-(methoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene.

Molecular Properties

Compound Name[(E)-3-(methoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene
PubChem CID134879366
Molecular FormulaC14H20O4S
Molecular Weight284.38 g/mol
Exact Mass284.11
IUPAC Name[(E)-3-(methoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene
SMILESCOCOC(/C=C/S(=O)(=O)c1ccccc1)C(C)C
InChIInChI=1S/C14H20O4S/c1-12(2)14(18-11-17-3)9-10-19(15,16)13-7-5-4-6-8-13/h4-10,12,14H,11H2,1-3H3/b10-9+
InChIKeyUBPTVSKDPNXTBT-MDZDMXLPSA-N
XLogP2.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.62
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

Benzene, ((2,2-dimethoxyethyl)sulfonyl)-
CID 554535
[(3,3,3-Trimethoxypropyl)sulfonyl]benzene
CID 10901794
[(E)-2-[(1S,2R)-2-(methoxymethoxy)cyclopropyl]ethenyl]sulfonylbenzene
CID 11369195
[4,4,4-Trifluoro-3-(methoxymethoxy)-2-methyl-3-(trifluoromethyl)butyl]sulfonylbenzene
CID 13988923
[(Z)-3-fluoro-4,4,4-trimethoxybut-2-enyl]sulfonylbenzene
CID 14043451
(3-Fluoro-4,4,4-trimethoxybut-2-enyl)sulfonylbenzene
CID 54522101
[(E)-3-fluoro-4,4,4-trimethoxybut-2-enyl]sulfonylbenzene
CID 68112744
3,3,3-Triethoxypropylsulfonylbenzene
CID 2733117
(4S)-4-[(E)-3-(benzenesulfonyl)prop-1-enyl]-2,2-dimethyl-1,3-dioxolane
CID 10902077
2-[(3S)-4-(benzenesulfonyl)-2,3-dimethylbutan-2-yl]oxyoxolane
CID 13964866
[(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpentyl]sulfonylbenzene
CID 10425254
[(E)-4-(benzenesulfonyl)but-3-en-2-yl] ethyl carbonate
CID 10493298

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(methoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene?
The IUPAC name of [(E)-3-(methoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene (CID 134879366) is [(E)-3-(methoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene.
What is the SMILES notation for [(E)-3-(methoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene?
The canonical SMILES for [(E)-3-(methoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene is COCOC(/C=C/S(=O)(=O)c1ccccc1)C(C)C.
What is the InChIKey of [(E)-3-(methoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene?
The InChIKey is UBPTVSKDPNXTBT-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H20O4S/c1-12(2)14(18-11-17-3)9-10-19(15,16)13-7-5-4-6-8-13/h4-10,12,14H,11H2,1-3H3/b10-9+.
What are the key properties of [(E)-3-(methoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene?
[(E)-3-(methoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene has a molecular weight of 284.38 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(methoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene is sourced from PubChem (CID 134879366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).