[(3Z)-8-methoxycarbonyloxy-3,7-dimethylcyclooct-3-en-1-yl] methyl carbonate

C14H22O6 — CID 23092755

IUPAC[(3Z)-8-methoxycarbonyloxy-3,7-dimethylcyclooct-3-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1C/C(C)=C\CCC(C)C1OC(=O)OC
InChIInChI=1S/C14H22O6/c1-9-6-5-7-10(2)12(20-14(16)18-4)11(8-9)19-13(15)17-3/h6,10-12H,5,7-8H2,1-4H3/b9-6-
InChIKeyFQIADKQXLCAIDO-TWGQIWQCSA-N
MW286.32 g/mol
LogP3.06
Rot. Bonds2

About [(3Z)-8-methoxycarbonyloxy-3,7-dimethylcyclooct-3-en-1-yl] methyl carbonate

[(3Z)-8-methoxycarbonyloxy-3,7-dimethylcyclooct-3-en-1-yl] methyl carbonate (PubChem CID 23092755) has the molecular formula C14H22O6 and a molecular weight of 286.32 g/mol. Its IUPAC name is [(3Z)-8-methoxycarbonyloxy-3,7-dimethylcyclooct-3-en-1-yl] methyl carbonate.

Molecular Properties

Compound Name[(3Z)-8-methoxycarbonyloxy-3,7-dimethylcyclooct-3-en-1-yl] methyl carbonate
PubChem CID23092755
Molecular FormulaC14H22O6
Molecular Weight286.32 g/mol
Exact Mass286.14
IUPAC Name[(3Z)-8-methoxycarbonyloxy-3,7-dimethylcyclooct-3-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1C/C(C)=C\CCC(C)C1OC(=O)OC
InChIInChI=1S/C14H22O6/c1-9-6-5-7-10(2)12(20-14(16)18-4)11(8-9)19-13(15)17-3/h6,10-12H,5,7-8H2,1-4H3/b9-6-
InChIKeyFQIADKQXLCAIDO-TWGQIWQCSA-N
XLogP3.06
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 ≤ 53.06
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-3,7-dimethylcyclooct-3-en-1-yl] methyl carbonate?
The IUPAC name of [(3Z)-8-methoxycarbonyloxy-3,7-dimethylcyclooct-3-en-1-yl] methyl carbonate (CID 23092755) is [(3Z)-8-methoxycarbonyloxy-3,7-dimethylcyclooct-3-en-1-yl] methyl carbonate.
What is the SMILES notation for [(3Z)-8-methoxycarbonyloxy-3,7-dimethylcyclooct-3-en-1-yl] methyl carbonate?
The canonical SMILES for [(3Z)-8-methoxycarbonyloxy-3,7-dimethylcyclooct-3-en-1-yl] methyl carbonate is COC(=O)OC1C/C(C)=C\CCC(C)C1OC(=O)OC.
What is the InChIKey of [(3Z)-8-methoxycarbonyloxy-3,7-dimethylcyclooct-3-en-1-yl] methyl carbonate?
The InChIKey is FQIADKQXLCAIDO-TWGQIWQCSA-N. The full InChI is InChI=1S/C14H22O6/c1-9-6-5-7-10(2)12(20-14(16)18-4)11(8-9)19-13(15)17-3/h6,10-12H,5,7-8H2,1-4H3/b9-6-.
What are the key properties of [(3Z)-8-methoxycarbonyloxy-3,7-dimethylcyclooct-3-en-1-yl] methyl carbonate?
[(3Z)-8-methoxycarbonyloxy-3,7-dimethylcyclooct-3-en-1-yl] methyl carbonate has a molecular weight of 286.32 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-8-methoxycarbonyloxy-3,7-dimethylcyclooct-3-en-1-yl] methyl carbonate is sourced from PubChem (CID 23092755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).