(4R)-4-[(Z)-2-(benzenesulfonyl)ethenyl]-2,2-diethyl-1,3-dioxolane

C15H20O4S — CID 11120018

IUPAC(4R)-4-[(Z)-2-(benzenesulfonyl)ethenyl]-2,2-diethyl-1,3-dioxolane
SMILESCCC1(CC)OC[C@@H](/C=C\S(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C15H20O4S/c1-3-15(4-2)18-12-13(19-15)10-11-20(16,17)14-8-6-5-7-9-14/h5-11,13H,3-4,12H2,1-2H3/b11-10-/t13-/m1/s1
InChIKeyVXPZPRBLMXALNO-BSYHEUMXSA-N
MW296.39 g/mol
LogP2.91
Rot. Bonds5

About (4R)-4-[(Z)-2-(benzenesulfonyl)ethenyl]-2,2-diethyl-1,3-dioxolane

(4R)-4-[(Z)-2-(benzenesulfonyl)ethenyl]-2,2-diethyl-1,3-dioxolane (PubChem CID 11120018) has the molecular formula C15H20O4S and a molecular weight of 296.39 g/mol. Its IUPAC name is (4R)-4-[(Z)-2-(benzenesulfonyl)ethenyl]-2,2-diethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-[(Z)-2-(benzenesulfonyl)ethenyl]-2,2-diethyl-1,3-dioxolane
PubChem CID11120018
Molecular FormulaC15H20O4S
Molecular Weight296.39 g/mol
Exact Mass296.11
IUPAC Name(4R)-4-[(Z)-2-(benzenesulfonyl)ethenyl]-2,2-diethyl-1,3-dioxolane
SMILESCCC1(CC)OC[C@@H](/C=C\S(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C15H20O4S/c1-3-15(4-2)18-12-13(19-15)10-11-20(16,17)14-8-6-5-7-9-14/h5-11,13H,3-4,12H2,1-2H3/b11-10-/t13-/m1/s1
InChIKeyVXPZPRBLMXALNO-BSYHEUMXSA-N
XLogP2.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-[(Z)-2-(benzenesulfonyl)ethenyl]-2,2-diethyl-1,3-dioxolane 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

2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenylsulfonylbenzene
CID 134861174
[(E)-2-ethoxyethenyl]sulfonylbenzene
CID 13177777
3-(benzenesulfonyl)-2,2-diethyloxirane
CID 14532903
2,2-diethyl-4-(2-iodophenyl)-1,3-dioxolane
CID 151760345
(E,3R)-1-(benzenesulfonyl)hept-1-en-3-ol
CID 102026404
[(S)-cyano-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] benzenesulfonate
CID 125434642
2-[(4S,5R)-2,2-diethyl-4-(2-fluorophenyl)-1,3-dioxan-5-yl]acetaldehyde
CID 18601480
[(E)-4-deuteriobut-1-enyl]sulfonylbenzene
CID 10655536
[(4S,5R)-5-[(E)-2-(benzenesulfonyl)ethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2,2,2-trifluoroacetate
CID 11417993
[(E)-4,4-dimethylpent-1-enyl]sulfonylbenzene
CID 101203977
2-benzyl-4-(chloromethyl)-2-ethyl-1,3-dioxolane
CID 82778660
4-[(2-chlorophenyl)methyl]-2,2-diethyl-1,3-dioxolane
CID 158961736

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(Z)-2-(benzenesulfonyl)ethenyl]-2,2-diethyl-1,3-dioxolane?
The IUPAC name of (4R)-4-[(Z)-2-(benzenesulfonyl)ethenyl]-2,2-diethyl-1,3-dioxolane (CID 11120018) is (4R)-4-[(Z)-2-(benzenesulfonyl)ethenyl]-2,2-diethyl-1,3-dioxolane.
What is the SMILES notation for (4R)-4-[(Z)-2-(benzenesulfonyl)ethenyl]-2,2-diethyl-1,3-dioxolane?
The canonical SMILES for (4R)-4-[(Z)-2-(benzenesulfonyl)ethenyl]-2,2-diethyl-1,3-dioxolane is CCC1(CC)OC[C@@H](/C=C\S(=O)(=O)c2ccccc2)O1.
What is the InChIKey of (4R)-4-[(Z)-2-(benzenesulfonyl)ethenyl]-2,2-diethyl-1,3-dioxolane?
The InChIKey is VXPZPRBLMXALNO-BSYHEUMXSA-N. The full InChI is InChI=1S/C15H20O4S/c1-3-15(4-2)18-12-13(19-15)10-11-20(16,17)14-8-6-5-7-9-14/h5-11,13H,3-4,12H2,1-2H3/b11-10-/t13-/m1/s1.
What are the key properties of (4R)-4-[(Z)-2-(benzenesulfonyl)ethenyl]-2,2-diethyl-1,3-dioxolane?
(4R)-4-[(Z)-2-(benzenesulfonyl)ethenyl]-2,2-diethyl-1,3-dioxolane has a molecular weight of 296.39 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(Z)-2-(benzenesulfonyl)ethenyl]-2,2-diethyl-1,3-dioxolane is sourced from PubChem (CID 11120018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).