[(3Z)-8-methoxycarbonyloxy-4-methylcyclooct-3-en-1-yl] methyl carbonate

C13H20O6 — CID 23092754

IUPAC[(3Z)-8-methoxycarbonyloxy-4-methylcyclooct-3-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1C/C=C(/C)CCCC1OC(=O)OC
InChIInChI=1S/C13H20O6/c1-9-5-4-6-10(18-12(14)16-2)11(8-7-9)19-13(15)17-3/h7,10-11H,4-6,8H2,1-3H3/b9-7-
InChIKeyMEVHLILREMPZIC-CLFYSBASSA-N
MW272.30 g/mol
LogP2.81
Rot. Bonds2

About [(3Z)-8-methoxycarbonyloxy-4-methylcyclooct-3-en-1-yl] methyl carbonate

[(3Z)-8-methoxycarbonyloxy-4-methylcyclooct-3-en-1-yl] methyl carbonate (PubChem CID 23092754) has the molecular formula C13H20O6 and a molecular weight of 272.30 g/mol. Its IUPAC name is [(3Z)-8-methoxycarbonyloxy-4-methylcyclooct-3-en-1-yl] methyl carbonate.

Molecular Properties

Compound Name[(3Z)-8-methoxycarbonyloxy-4-methylcyclooct-3-en-1-yl] methyl carbonate
PubChem CID23092754
Molecular FormulaC13H20O6
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name[(3Z)-8-methoxycarbonyloxy-4-methylcyclooct-3-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1C/C=C(/C)CCCC1OC(=O)OC
InChIInChI=1S/C13H20O6/c1-9-5-4-6-10(18-12(14)16-2)11(8-7-9)19-13(15)17-3/h7,10-11H,4-6,8H2,1-3H3/b9-7-
InChIKeyMEVHLILREMPZIC-CLFYSBASSA-N
XLogP2.81
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.81
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 [(3Z)-8-methoxycarbonyloxy-4-methylcyclooct-3-en-1-yl] methyl carbonate?
The IUPAC name of [(3Z)-8-methoxycarbonyloxy-4-methylcyclooct-3-en-1-yl] methyl carbonate (CID 23092754) is [(3Z)-8-methoxycarbonyloxy-4-methylcyclooct-3-en-1-yl] methyl carbonate.
What is the SMILES notation for [(3Z)-8-methoxycarbonyloxy-4-methylcyclooct-3-en-1-yl] methyl carbonate?
The canonical SMILES for [(3Z)-8-methoxycarbonyloxy-4-methylcyclooct-3-en-1-yl] methyl carbonate is COC(=O)OC1C/C=C(/C)CCCC1OC(=O)OC.
What is the InChIKey of [(3Z)-8-methoxycarbonyloxy-4-methylcyclooct-3-en-1-yl] methyl carbonate?
The InChIKey is MEVHLILREMPZIC-CLFYSBASSA-N. The full InChI is InChI=1S/C13H20O6/c1-9-5-4-6-10(18-12(14)16-2)11(8-7-9)19-13(15)17-3/h7,10-11H,4-6,8H2,1-3H3/b9-7-.
What are the key properties of [(3Z)-8-methoxycarbonyloxy-4-methylcyclooct-3-en-1-yl] methyl carbonate?
[(3Z)-8-methoxycarbonyloxy-4-methylcyclooct-3-en-1-yl] methyl carbonate has a molecular weight of 272.30 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-8-methoxycarbonyloxy-4-methylcyclooct-3-en-1-yl] methyl carbonate is sourced from PubChem (CID 23092754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).