[(2E)-6-methoxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate

C13H20O7 — CID 121291255

IUPAC[(2E)-6-methoxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1/C=C\C(OC(=O)OC)CC(OC)CC1
InChIInChI=1S/C13H20O7/c1-16-10-6-4-9(19-12(14)17-2)5-7-11(8-10)20-13(15)18-3/h5,7,9-11H,4,6,8H2,1-3H3/b7-5-
InChIKeyXQPBNIVIZJHICV-ALCCZGGFSA-N
MW288.30 g/mol
LogP2.04
Rot. Bonds3

About [(2E)-6-methoxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate

[(2E)-6-methoxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate (PubChem CID 121291255) has the molecular formula C13H20O7 and a molecular weight of 288.30 g/mol. Its IUPAC name is [(2E)-6-methoxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate.

Molecular Properties

Compound Name[(2E)-6-methoxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate
PubChem CID121291255
Molecular FormulaC13H20O7
Molecular Weight288.30 g/mol
Exact Mass288.12
IUPAC Name[(2E)-6-methoxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1/C=C\C(OC(=O)OC)CC(OC)CC1
InChIInChI=1S/C13H20O7/c1-16-10-6-4-9(19-12(14)17-2)5-7-11(8-10)20-13(15)18-3/h5,7,9-11H,4,6,8H2,1-3H3/b7-5-
InChIKeyXQPBNIVIZJHICV-ALCCZGGFSA-N
XLogP2.04
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 [(2E)-6-methoxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate?
The IUPAC name of [(2E)-6-methoxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate (CID 121291255) is [(2E)-6-methoxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate.
What is the SMILES notation for [(2E)-6-methoxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate?
The canonical SMILES for [(2E)-6-methoxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate is COC(=O)OC1/C=C\C(OC(=O)OC)CC(OC)CC1.
What is the InChIKey of [(2E)-6-methoxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate?
The InChIKey is XQPBNIVIZJHICV-ALCCZGGFSA-N. The full InChI is InChI=1S/C13H20O7/c1-16-10-6-4-9(19-12(14)17-2)5-7-11(8-10)20-13(15)18-3/h5,7,9-11H,4,6,8H2,1-3H3/b7-5-.
What are the key properties of [(2E)-6-methoxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate?
[(2E)-6-methoxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate has a molecular weight of 288.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-6-methoxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate is sourced from PubChem (CID 121291255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).