ethyl [(4Z)-8-oxocyclooct-4-en-1-yl] sulfate

C10H16O5S — CID 10729215

IUPACethyl [(4Z)-8-oxocyclooct-4-en-1-yl] sulfate
SMILESCCOS(=O)(=O)OC1CC/C=C\CCC1=O
InChIInChI=1S/C10H16O5S/c1-2-14-16(12,13)15-10-8-6-4-3-5-7-9(10)11/h3-4,10H,2,5-8H2,1H3/b4-3-
InChIKeyWBUIGRUTWUPIOO-ARJAWSKDSA-N
MW248.30 g/mol
LogP1.35
Rot. Bonds4

About ethyl [(4Z)-8-oxocyclooct-4-en-1-yl] sulfate

ethyl [(4Z)-8-oxocyclooct-4-en-1-yl] sulfate (PubChem CID 10729215) has the molecular formula C10H16O5S and a molecular weight of 248.30 g/mol. Its IUPAC name is ethyl [(4Z)-8-oxocyclooct-4-en-1-yl] sulfate.

Molecular Properties

Compound Nameethyl [(4Z)-8-oxocyclooct-4-en-1-yl] sulfate
PubChem CID10729215
Molecular FormulaC10H16O5S
Molecular Weight248.30 g/mol
Exact Mass248.07
IUPAC Nameethyl [(4Z)-8-oxocyclooct-4-en-1-yl] sulfate
SMILESCCOS(=O)(=O)OC1CC/C=C\CCC1=O
InChIInChI=1S/C10H16O5S/c1-2-14-16(12,13)15-10-8-6-4-3-5-7-9(10)11/h3-4,10H,2,5-8H2,1H3/b4-3-
InChIKeyWBUIGRUTWUPIOO-ARJAWSKDSA-N
XLogP1.35
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4Z,8Z)-12-methoxycyclododeca-4,8-dien-1-one
CID 20071260
(4Z)-8-methoxycyclooct-4-en-1-one
CID 101173369
12-Methoxycyclododeca-4,8-dien-1-one
CID 54397025
[(E)-13-oxotetradec-7-en-5-yl] hydrogen sulfate
CID 161062865

Frequently Asked Questions

What is the IUPAC name of ethyl [(4Z)-8-oxocyclooct-4-en-1-yl] sulfate?
The IUPAC name of ethyl [(4Z)-8-oxocyclooct-4-en-1-yl] sulfate (CID 10729215) is ethyl [(4Z)-8-oxocyclooct-4-en-1-yl] sulfate.
What is the SMILES notation for ethyl [(4Z)-8-oxocyclooct-4-en-1-yl] sulfate?
The canonical SMILES for ethyl [(4Z)-8-oxocyclooct-4-en-1-yl] sulfate is CCOS(=O)(=O)OC1CC/C=C\CCC1=O.
What is the InChIKey of ethyl [(4Z)-8-oxocyclooct-4-en-1-yl] sulfate?
The InChIKey is WBUIGRUTWUPIOO-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H16O5S/c1-2-14-16(12,13)15-10-8-6-4-3-5-7-9(10)11/h3-4,10H,2,5-8H2,1H3/b4-3-.
What are the key properties of ethyl [(4Z)-8-oxocyclooct-4-en-1-yl] sulfate?
ethyl [(4Z)-8-oxocyclooct-4-en-1-yl] sulfate has a molecular weight of 248.30 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [(4Z)-8-oxocyclooct-4-en-1-yl] sulfate is sourced from PubChem (CID 10729215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).