(4S)-4-[(E)-3-(benzenesulfonyl)prop-1-enyl]-2,2-dimethyl-1,3-dioxolane

C14H18O4S — CID 10902077

IUPAC(4S)-4-[(E)-3-(benzenesulfonyl)prop-1-enyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@H](/C=C/CS(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C14H18O4S/c1-14(2)17-11-12(18-14)7-6-10-19(15,16)13-8-4-3-5-9-13/h3-9,12H,10-11H2,1-2H3/b7-6+/t12-/m0/s1
InChIKeyJUIGQTSYQOBSRD-SYTKJHMZSA-N
MW282.36 g/mol
LogP2.17
Rot. Bonds4

About (4S)-4-[(E)-3-(benzenesulfonyl)prop-1-enyl]-2,2-dimethyl-1,3-dioxolane

(4S)-4-[(E)-3-(benzenesulfonyl)prop-1-enyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 10902077) has the molecular formula C14H18O4S and a molecular weight of 282.36 g/mol. Its IUPAC name is (4S)-4-[(E)-3-(benzenesulfonyl)prop-1-enyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-4-[(E)-3-(benzenesulfonyl)prop-1-enyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID10902077
Molecular FormulaC14H18O4S
Molecular Weight282.36 g/mol
Exact Mass282.09
IUPAC Name(4S)-4-[(E)-3-(benzenesulfonyl)prop-1-enyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@H](/C=C/CS(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C14H18O4S/c1-14(2)17-11-12(18-14)7-6-10-19(15,16)13-8-4-3-5-9-13/h3-9,12H,10-11H2,1-2H3/b7-6+/t12-/m0/s1
InChIKeyJUIGQTSYQOBSRD-SYTKJHMZSA-N
XLogP2.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(E)-3-(benzenesulfonyl)prop-1-enyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4S)-4-[(E)-3-(benzenesulfonyl)prop-1-enyl]-2,2-dimethyl-1,3-dioxolane (CID 10902077) is (4S)-4-[(E)-3-(benzenesulfonyl)prop-1-enyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4S)-4-[(E)-3-(benzenesulfonyl)prop-1-enyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4S)-4-[(E)-3-(benzenesulfonyl)prop-1-enyl]-2,2-dimethyl-1,3-dioxolane is CC1(C)OC[C@H](/C=C/CS(=O)(=O)c2ccccc2)O1.
What is the InChIKey of (4S)-4-[(E)-3-(benzenesulfonyl)prop-1-enyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is JUIGQTSYQOBSRD-SYTKJHMZSA-N. The full InChI is InChI=1S/C14H18O4S/c1-14(2)17-11-12(18-14)7-6-10-19(15,16)13-8-4-3-5-9-13/h3-9,12H,10-11H2,1-2H3/b7-6+/t12-/m0/s1.
What are the key properties of (4S)-4-[(E)-3-(benzenesulfonyl)prop-1-enyl]-2,2-dimethyl-1,3-dioxolane?
(4S)-4-[(E)-3-(benzenesulfonyl)prop-1-enyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 282.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(E)-3-(benzenesulfonyl)prop-1-enyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 10902077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).