[(E,3S)-3-(methoxymethoxy)pent-1-enyl]sulfonylbenzene

C13H18O4S — CID 11054746

IUPAC[(E,3S)-3-(methoxymethoxy)pent-1-enyl]sulfonylbenzene
SMILESCC[C@@H](/C=C/S(=O)(=O)c1ccccc1)OCOC
InChIInChI=1S/C13H18O4S/c1-3-12(17-11-16-2)9-10-18(14,15)13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3/b10-9+/t12-/m0/s1
InChIKeyDLOMHAROGQNCBY-VMPCVLLUSA-N
MW270.35 g/mol
LogP2.37
Rot. Bonds7

About [(E,3S)-3-(methoxymethoxy)pent-1-enyl]sulfonylbenzene

[(E,3S)-3-(methoxymethoxy)pent-1-enyl]sulfonylbenzene (PubChem CID 11054746) has the molecular formula C13H18O4S and a molecular weight of 270.35 g/mol. Its IUPAC name is [(E,3S)-3-(methoxymethoxy)pent-1-enyl]sulfonylbenzene.

Molecular Properties

Compound Name[(E,3S)-3-(methoxymethoxy)pent-1-enyl]sulfonylbenzene
PubChem CID11054746
Molecular FormulaC13H18O4S
Molecular Weight270.35 g/mol
Exact Mass270.09
IUPAC Name[(E,3S)-3-(methoxymethoxy)pent-1-enyl]sulfonylbenzene
SMILESCC[C@@H](/C=C/S(=O)(=O)c1ccccc1)OCOC
InChIInChI=1S/C13H18O4S/c1-3-12(17-11-16-2)9-10-18(14,15)13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3/b10-9+/t12-/m0/s1
InChIKeyDLOMHAROGQNCBY-VMPCVLLUSA-N
XLogP2.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(E,3S)-3-(methoxymethoxy)pent-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

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
2-Prop-2-enoxyprop-2-enylsulfonylbenzene
CID 12808968
5-(benzenesulfonyl)-2-ethoxy-6-methyl-3,4-dihydro-2H-pyran
CID 14913023
(1-Fluoro-2,2-dimethoxyethyl)sulfonylbenzene
CID 14929164
[(Z)-3-fluoro-4,4,4-trimethoxybut-2-enyl]sulfonylbenzene
CID 14043451
3-(Methoxymethoxy)-1-phenylthiolan-1-ium;trifluoromethanesulfonate
CID 18350131
3-(Ethoxymethoxy)-1-phenylthiolan-1-ium;trifluoromethanesulfonate
CID 18350136
(3-Fluoro-4,4,4-trimethoxybut-2-enyl)sulfonylbenzene
CID 54522101
[3-(Ethoxymethoxy)-1-phenylthiolan-1-yl] trifluoromethanesulfonate
CID 57165721
[3-(Methoxymethoxy)-1-phenylthiolan-1-yl] trifluoromethanesulfonate
CID 57190714

Frequently Asked Questions

What is the IUPAC name of [(E,3S)-3-(methoxymethoxy)pent-1-enyl]sulfonylbenzene?
The IUPAC name of [(E,3S)-3-(methoxymethoxy)pent-1-enyl]sulfonylbenzene (CID 11054746) is [(E,3S)-3-(methoxymethoxy)pent-1-enyl]sulfonylbenzene.
What is the SMILES notation for [(E,3S)-3-(methoxymethoxy)pent-1-enyl]sulfonylbenzene?
The canonical SMILES for [(E,3S)-3-(methoxymethoxy)pent-1-enyl]sulfonylbenzene is CC[C@@H](/C=C/S(=O)(=O)c1ccccc1)OCOC.
What is the InChIKey of [(E,3S)-3-(methoxymethoxy)pent-1-enyl]sulfonylbenzene?
The InChIKey is DLOMHAROGQNCBY-VMPCVLLUSA-N. The full InChI is InChI=1S/C13H18O4S/c1-3-12(17-11-16-2)9-10-18(14,15)13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3/b10-9+/t12-/m0/s1.
What are the key properties of [(E,3S)-3-(methoxymethoxy)pent-1-enyl]sulfonylbenzene?
[(E,3S)-3-(methoxymethoxy)pent-1-enyl]sulfonylbenzene has a molecular weight of 270.35 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,3S)-3-(methoxymethoxy)pent-1-enyl]sulfonylbenzene is sourced from PubChem (CID 11054746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).