[(E)-3-(2-methoxyethoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene

C16H24O5S — CID 15935897

IUPAC[(E)-3-(2-methoxyethoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene
SMILESCOCCOCOC(/C=C/S(=O)(=O)c1ccccc1)C(C)C
InChIInChI=1S/C16H24O5S/c1-14(2)16(21-13-20-11-10-19-3)9-12-22(17,18)15-7-5-4-6-8-15/h4-9,12,14,16H,10-11,13H2,1-3H3/b12-9+
InChIKeyQQYLPIHQPFIKAG-FMIVXFBMSA-N
MW328.43 g/mol
LogP2.64
Rot. Bonds10

About [(E)-3-(2-methoxyethoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene

[(E)-3-(2-methoxyethoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene (PubChem CID 15935897) has the molecular formula C16H24O5S and a molecular weight of 328.43 g/mol. Its IUPAC name is [(E)-3-(2-methoxyethoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene.

Molecular Properties

Compound Name[(E)-3-(2-methoxyethoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene
PubChem CID15935897
Molecular FormulaC16H24O5S
Molecular Weight328.43 g/mol
Exact Mass328.13
IUPAC Name[(E)-3-(2-methoxyethoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene
SMILESCOCCOCOC(/C=C/S(=O)(=O)c1ccccc1)C(C)C
InChIInChI=1S/C16H24O5S/c1-14(2)16(21-13-20-11-10-19-3)9-12-22(17,18)15-7-5-4-6-8-15/h4-9,12,14,16H,10-11,13H2,1-3H3/b12-9+
InChIKeyQQYLPIHQPFIKAG-FMIVXFBMSA-N
XLogP2.64
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(E)-3-(2-methoxyethoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-2-[(1S,2R)-2-(methoxymethoxy)cyclopropyl]ethenyl]sulfonylbenzene
CID 11369195
2-[2-(Benzenesulfonyl)-2-fluoroethyl]-5-butan-2-yloxy-1,4-dioxane
CID 151626620
(4S)-4-[(E)-3-(benzenesulfonyl)prop-1-enyl]-2,2-dimethyl-1,3-dioxolane
CID 10902077
[(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpentyl]sulfonylbenzene
CID 10425254
[(E)-4-(benzenesulfonyl)but-3-en-2-yl] ethyl carbonate
CID 10493298
(2R,4R)-6-(benzenesulfonylmethyl)-4-methyl-2-propan-2-yloxy-3,4-dihydro-2H-pyran
CID 11109689
[(E,3S)-3-(ethoxymethoxy)hept-1-en-6-ynyl]sulfonylbenzene
CID 11174306
[(2R)-4-(benzenesulfonyl)-1-ethoxycarbonyloxybutan-2-yl] ethyl carbonate
CID 11337799
(4R)-4-[(2S)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 11832967
1,3-Dioxolane, 2-methyl-2-[2-(phenylsulfonyl)ethyl]-
CID 12222743
[[(1E)-3,3-Dimethoxy-1-propenyl]sulfonyl]benzene
CID 12827097
[2-(2-Methoxyethoxymethoxy)cyclopropyl]sulfonylbenzene
CID 13467763

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(2-methoxyethoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene?
The IUPAC name of [(E)-3-(2-methoxyethoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene (CID 15935897) is [(E)-3-(2-methoxyethoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene.
What is the SMILES notation for [(E)-3-(2-methoxyethoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene?
The canonical SMILES for [(E)-3-(2-methoxyethoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene is COCCOCOC(/C=C/S(=O)(=O)c1ccccc1)C(C)C.
What is the InChIKey of [(E)-3-(2-methoxyethoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene?
The InChIKey is QQYLPIHQPFIKAG-FMIVXFBMSA-N. The full InChI is InChI=1S/C16H24O5S/c1-14(2)16(21-13-20-11-10-19-3)9-12-22(17,18)15-7-5-4-6-8-15/h4-9,12,14,16H,10-11,13H2,1-3H3/b12-9+.
What are the key properties of [(E)-3-(2-methoxyethoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene?
[(E)-3-(2-methoxyethoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene has a molecular weight of 328.43 g/mol, XLogP of 2.64, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(2-methoxyethoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene is sourced from PubChem (CID 15935897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).