[(Z)-4-(benzenesulfonyl)hex-3-en-2-yl] acetate

C14H18O4S — CID 42600786

IUPAC[(Z)-4-(benzenesulfonyl)hex-3-en-2-yl] acetate
SMILESCC/C(=C/C(C)OC(C)=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H18O4S/c1-4-13(10-11(2)18-12(3)15)19(16,17)14-8-6-5-7-9-14/h5-11H,4H2,1-3H3/b13-10-
InChIKeyBVALILGHEYCUDS-RAXLEYEMSA-N
MW282.36 g/mol
LogP2.71
Rot. Bonds5

About [(Z)-4-(benzenesulfonyl)hex-3-en-2-yl] acetate

[(Z)-4-(benzenesulfonyl)hex-3-en-2-yl] acetate (PubChem CID 42600786) has the molecular formula C14H18O4S and a molecular weight of 282.36 g/mol. Its IUPAC name is [(Z)-4-(benzenesulfonyl)hex-3-en-2-yl] acetate.

Molecular Properties

Compound Name[(Z)-4-(benzenesulfonyl)hex-3-en-2-yl] acetate
PubChem CID42600786
Molecular FormulaC14H18O4S
Molecular Weight282.36 g/mol
Exact Mass282.09
IUPAC Name[(Z)-4-(benzenesulfonyl)hex-3-en-2-yl] acetate
SMILESCC/C(=C/C(C)OC(C)=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H18O4S/c1-4-13(10-11(2)18-12(3)15)19(16,17)14-8-6-5-7-9-14/h5-11H,4H2,1-3H3/b13-10-
InChIKeyBVALILGHEYCUDS-RAXLEYEMSA-N
XLogP2.71
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(Z)-4-(benzenesulfonyl)hex-3-en-2-yl] acetate?
The IUPAC name of [(Z)-4-(benzenesulfonyl)hex-3-en-2-yl] acetate (CID 42600786) is [(Z)-4-(benzenesulfonyl)hex-3-en-2-yl] acetate.
What is the SMILES notation for [(Z)-4-(benzenesulfonyl)hex-3-en-2-yl] acetate?
The canonical SMILES for [(Z)-4-(benzenesulfonyl)hex-3-en-2-yl] acetate is CC/C(=C/C(C)OC(C)=O)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(Z)-4-(benzenesulfonyl)hex-3-en-2-yl] acetate?
The InChIKey is BVALILGHEYCUDS-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H18O4S/c1-4-13(10-11(2)18-12(3)15)19(16,17)14-8-6-5-7-9-14/h5-11H,4H2,1-3H3/b13-10-.
What are the key properties of [(Z)-4-(benzenesulfonyl)hex-3-en-2-yl] acetate?
[(Z)-4-(benzenesulfonyl)hex-3-en-2-yl] acetate has a molecular weight of 282.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-(benzenesulfonyl)hex-3-en-2-yl] acetate is sourced from PubChem (CID 42600786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).