[(4Z)-8-methoxycarbonyloxycyclooct-4-en-1-yl] methyl carbonate

C12H18O6 — CID 18541560

IUPAC[(4Z)-8-methoxycarbonyloxycyclooct-4-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1CC/C=C\CCC1OC(=O)OC
InChIInChI=1S/C12H18O6/c1-15-11(13)17-9-7-5-3-4-6-8-10(9)18-12(14)16-2/h3-4,9-10H,5-8H2,1-2H3/b4-3-
InChIKeyHEKOWJFBYXEMRX-ARJAWSKDSA-N
MW258.27 g/mol
LogP2.42
Rot. Bonds2

About [(4Z)-8-methoxycarbonyloxycyclooct-4-en-1-yl] methyl carbonate

[(4Z)-8-methoxycarbonyloxycyclooct-4-en-1-yl] methyl carbonate (PubChem CID 18541560) has the molecular formula C12H18O6 and a molecular weight of 258.27 g/mol. Its IUPAC name is [(4Z)-8-methoxycarbonyloxycyclooct-4-en-1-yl] methyl carbonate.

Molecular Properties

Compound Name[(4Z)-8-methoxycarbonyloxycyclooct-4-en-1-yl] methyl carbonate
PubChem CID18541560
Molecular FormulaC12H18O6
Molecular Weight258.27 g/mol
Exact Mass258.11
IUPAC Name[(4Z)-8-methoxycarbonyloxycyclooct-4-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1CC/C=C\CCC1OC(=O)OC
InChIInChI=1S/C12H18O6/c1-15-11(13)17-9-7-5-3-4-6-8-10(9)18-12(14)16-2/h3-4,9-10H,5-8H2,1-2H3/b4-3-
InChIKeyHEKOWJFBYXEMRX-ARJAWSKDSA-N
XLogP2.42
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 [(4Z)-8-methoxycarbonyloxycyclooct-4-en-1-yl] methyl carbonate?
The IUPAC name of [(4Z)-8-methoxycarbonyloxycyclooct-4-en-1-yl] methyl carbonate (CID 18541560) is [(4Z)-8-methoxycarbonyloxycyclooct-4-en-1-yl] methyl carbonate.
What is the SMILES notation for [(4Z)-8-methoxycarbonyloxycyclooct-4-en-1-yl] methyl carbonate?
The canonical SMILES for [(4Z)-8-methoxycarbonyloxycyclooct-4-en-1-yl] methyl carbonate is COC(=O)OC1CC/C=C\CCC1OC(=O)OC.
What is the InChIKey of [(4Z)-8-methoxycarbonyloxycyclooct-4-en-1-yl] methyl carbonate?
The InChIKey is HEKOWJFBYXEMRX-ARJAWSKDSA-N. The full InChI is InChI=1S/C12H18O6/c1-15-11(13)17-9-7-5-3-4-6-8-10(9)18-12(14)16-2/h3-4,9-10H,5-8H2,1-2H3/b4-3-.
What are the key properties of [(4Z)-8-methoxycarbonyloxycyclooct-4-en-1-yl] methyl carbonate?
[(4Z)-8-methoxycarbonyloxycyclooct-4-en-1-yl] methyl carbonate has a molecular weight of 258.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-8-methoxycarbonyloxycyclooct-4-en-1-yl] methyl carbonate is sourced from PubChem (CID 18541560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).