[(4Z)-8-methoxycarbonyloxy-1,5-dimethylcyclooct-4-en-1-yl] methyl carbonate

C14H22O6 — CID 23092801

IUPAC[(4Z)-8-methoxycarbonyloxy-1,5-dimethylcyclooct-4-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1CC/C(C)=C\CCC1(C)OC(=O)OC
InChIInChI=1S/C14H22O6/c1-10-6-5-9-14(2,20-13(16)18-4)11(8-7-10)19-12(15)17-3/h6,11H,5,7-9H2,1-4H3/b10-6-
InChIKeyWZSOPZOFTPVCLK-POHAHGRESA-N
MW286.32 g/mol
LogP3.20
Rot. Bonds2

About [(4Z)-8-methoxycarbonyloxy-1,5-dimethylcyclooct-4-en-1-yl] methyl carbonate

[(4Z)-8-methoxycarbonyloxy-1,5-dimethylcyclooct-4-en-1-yl] methyl carbonate (PubChem CID 23092801) has the molecular formula C14H22O6 and a molecular weight of 286.32 g/mol. Its IUPAC name is [(4Z)-8-methoxycarbonyloxy-1,5-dimethylcyclooct-4-en-1-yl] methyl carbonate.

Molecular Properties

Compound Name[(4Z)-8-methoxycarbonyloxy-1,5-dimethylcyclooct-4-en-1-yl] methyl carbonate
PubChem CID23092801
Molecular FormulaC14H22O6
Molecular Weight286.32 g/mol
Exact Mass286.14
IUPAC Name[(4Z)-8-methoxycarbonyloxy-1,5-dimethylcyclooct-4-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1CC/C(C)=C\CCC1(C)OC(=O)OC
InChIInChI=1S/C14H22O6/c1-10-6-5-9-14(2,20-13(16)18-4)11(8-7-10)19-12(15)17-3/h6,11H,5,7-9H2,1-4H3/b10-6-
InChIKeyWZSOPZOFTPVCLK-POHAHGRESA-N
XLogP3.20
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 53.20
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-methoxycarbonyloxy-1,5-dimethylcyclooct-4-en-1-yl] methyl carbonate?
The IUPAC name of [(4Z)-8-methoxycarbonyloxy-1,5-dimethylcyclooct-4-en-1-yl] methyl carbonate (CID 23092801) is [(4Z)-8-methoxycarbonyloxy-1,5-dimethylcyclooct-4-en-1-yl] methyl carbonate.
What is the SMILES notation for [(4Z)-8-methoxycarbonyloxy-1,5-dimethylcyclooct-4-en-1-yl] methyl carbonate?
The canonical SMILES for [(4Z)-8-methoxycarbonyloxy-1,5-dimethylcyclooct-4-en-1-yl] methyl carbonate is COC(=O)OC1CC/C(C)=C\CCC1(C)OC(=O)OC.
What is the InChIKey of [(4Z)-8-methoxycarbonyloxy-1,5-dimethylcyclooct-4-en-1-yl] methyl carbonate?
The InChIKey is WZSOPZOFTPVCLK-POHAHGRESA-N. The full InChI is InChI=1S/C14H22O6/c1-10-6-5-9-14(2,20-13(16)18-4)11(8-7-10)19-12(15)17-3/h6,11H,5,7-9H2,1-4H3/b10-6-.
What are the key properties of [(4Z)-8-methoxycarbonyloxy-1,5-dimethylcyclooct-4-en-1-yl] methyl carbonate?
[(4Z)-8-methoxycarbonyloxy-1,5-dimethylcyclooct-4-en-1-yl] methyl carbonate has a molecular weight of 286.32 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-8-methoxycarbonyloxy-1,5-dimethylcyclooct-4-en-1-yl] methyl carbonate is sourced from PubChem (CID 23092801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).