ethyl 2-[(E)-hex-3-en-3-yl]sulfonylacetate

C10H18O4S — CID 11770394

IUPACethyl 2-[(E)-hex-3-en-3-yl]sulfonylacetate
SMILESCC/C=C(\CC)S(=O)(=O)CC(=O)OCC
InChIInChI=1S/C10H18O4S/c1-4-7-9(5-2)15(12,13)8-10(11)14-6-3/h7H,4-6,8H2,1-3H3/b9-7+
InChIKeyYDANNRNZULXJOP-VQHVLOKHSA-N
MW234.32 g/mol
LogP1.67
Rot. Bonds6

About ethyl 2-[(E)-hex-3-en-3-yl]sulfonylacetate

ethyl 2-[(E)-hex-3-en-3-yl]sulfonylacetate (PubChem CID 11770394) has the molecular formula C10H18O4S and a molecular weight of 234.32 g/mol. Its IUPAC name is ethyl 2-[(E)-hex-3-en-3-yl]sulfonylacetate.

Molecular Properties

Compound Nameethyl 2-[(E)-hex-3-en-3-yl]sulfonylacetate
PubChem CID11770394
Molecular FormulaC10H18O4S
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Nameethyl 2-[(E)-hex-3-en-3-yl]sulfonylacetate
SMILESCC/C=C(\CC)S(=O)(=O)CC(=O)OCC
InChIInChI=1S/C10H18O4S/c1-4-7-9(5-2)15(12,13)8-10(11)14-6-3/h7H,4-6,8H2,1-3H3/b9-7+
InChIKeyYDANNRNZULXJOP-VQHVLOKHSA-N
XLogP1.67
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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[(E)-pent-2-enyl] 2-methylsulfonylacetate
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Ethyl 2-cyclohepta-1,4,6-trien-1-ylsulfonylacetate
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2-Cyclohexa-1,3-dien-1-ylsulfonylethyl propanoate
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2-[2-[Cyclohexa-1,3-dien-1-yl(dimethyl)-lambda4-sulfanyl]acetyl]oxyethanesulfonic acid
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(3-Methyl-1,1-dioxo-2,5-dihydrothiophen-2-yl)methyl propanoate
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(3-Methyl-1,1-dioxo-2,5-dihydrothiophen-2-yl)methyl acetate
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ethyl 3-[(Z)-hex-3-en-3-yl]sulfanylpropanoate
CID 10584848

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(E)-hex-3-en-3-yl]sulfonylacetate?
The IUPAC name of ethyl 2-[(E)-hex-3-en-3-yl]sulfonylacetate (CID 11770394) is ethyl 2-[(E)-hex-3-en-3-yl]sulfonylacetate.
What is the SMILES notation for ethyl 2-[(E)-hex-3-en-3-yl]sulfonylacetate?
The canonical SMILES for ethyl 2-[(E)-hex-3-en-3-yl]sulfonylacetate is CC/C=C(\CC)S(=O)(=O)CC(=O)OCC.
What is the InChIKey of ethyl 2-[(E)-hex-3-en-3-yl]sulfonylacetate?
The InChIKey is YDANNRNZULXJOP-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H18O4S/c1-4-7-9(5-2)15(12,13)8-10(11)14-6-3/h7H,4-6,8H2,1-3H3/b9-7+.
What are the key properties of ethyl 2-[(E)-hex-3-en-3-yl]sulfonylacetate?
ethyl 2-[(E)-hex-3-en-3-yl]sulfonylacetate has a molecular weight of 234.32 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(E)-hex-3-en-3-yl]sulfonylacetate is sourced from PubChem (CID 11770394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).