[(2E)-6,7-dihydroxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate

C12H18O8 — CID 90184256

IUPAC[(2E)-6,7-dihydroxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1/C=C\C(OC(=O)OC)CC(O)C(O)C1
InChIInChI=1S/C12H18O8/c1-17-11(15)19-7-3-4-8(20-12(16)18-2)6-10(14)9(13)5-7/h3-4,7-10,13-14H,5-6H2,1-2H3/b4-3-
InChIKeyDEUDRVHAXYJOKK-ARJAWSKDSA-N
MW290.27 g/mol
LogP0.36
Rot. Bonds2

About [(2E)-6,7-dihydroxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate

[(2E)-6,7-dihydroxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate (PubChem CID 90184256) has the molecular formula C12H18O8 and a molecular weight of 290.27 g/mol. Its IUPAC name is [(2E)-6,7-dihydroxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate.

Molecular Properties

Compound Name[(2E)-6,7-dihydroxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate
PubChem CID90184256
Molecular FormulaC12H18O8
Molecular Weight290.27 g/mol
Exact Mass290.10
IUPAC Name[(2E)-6,7-dihydroxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1/C=C\C(OC(=O)OC)CC(O)C(O)C1
InChIInChI=1S/C12H18O8/c1-17-11(15)19-7-3-4-8(20-12(16)18-2)6-10(14)9(13)5-7/h3-4,7-10,13-14H,5-6H2,1-2H3/b4-3-
InChIKeyDEUDRVHAXYJOKK-ARJAWSKDSA-N
XLogP0.36
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1S,4R)-4-hydroxycyclopent-2-en-1-yl] methyl carbonate
CID 18647346
[(2E)-4,7-dihydroxycyclooct-2-en-1-yl] methyl carbonate
CID 90182652
[(2E)-6-methoxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate
CID 121291255
[(1S,4R)-4-methoxycarbonyloxycyclopent-2-en-1-yl]methyl methyl carbonate
CID 10955368
methyl (1R,5S)-5-methoxycarbonyloxycyclohex-3-ene-1-carboxylate
CID 134872441
[(2E)-4-methoxycyclooct-2-en-1-yl] methyl carbonate
CID 90183035
[(2E)-4-hydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate
CID 118460742
[(2E)-4-methoxycarbonyloxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate
CID 118460768
[(2E)-4-(tert-butylcarbamoyloxy)-6,7-dihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate
CID 118547647
[(2E)-6,7-dihydroxy-4-(methylcarbamoyloxy)cyclooct-2-en-1-yl] N-iodocarbamate
CID 166646354
[(1S,4R)-4-ethoxycarbonyloxycyclopent-2-en-1-yl] ethyl carbonate
CID 10514412
[(1S,6R)-6-methoxycarbonyloxycyclohexa-2,4-dien-1-yl] methyl carbonate
CID 102401861

Frequently Asked Questions

What is the IUPAC name of [(2E)-6,7-dihydroxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate?
The IUPAC name of [(2E)-6,7-dihydroxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate (CID 90184256) is [(2E)-6,7-dihydroxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate.
What is the SMILES notation for [(2E)-6,7-dihydroxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate?
The canonical SMILES for [(2E)-6,7-dihydroxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate is COC(=O)OC1/C=C\C(OC(=O)OC)CC(O)C(O)C1.
What is the InChIKey of [(2E)-6,7-dihydroxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate?
The InChIKey is DEUDRVHAXYJOKK-ARJAWSKDSA-N. The full InChI is InChI=1S/C12H18O8/c1-17-11(15)19-7-3-4-8(20-12(16)18-2)6-10(14)9(13)5-7/h3-4,7-10,13-14H,5-6H2,1-2H3/b4-3-.
What are the key properties of [(2E)-6,7-dihydroxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate?
[(2E)-6,7-dihydroxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate has a molecular weight of 290.27 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-6,7-dihydroxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate is sourced from PubChem (CID 90184256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).