[(3Z)-8-methoxycarbonyloxycyclooct-3-en-1-yl] methyl carbonate

C12H18O6 — CID 18541565

IUPAC[(3Z)-8-methoxycarbonyloxycyclooct-3-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1C/C=C\CCCC1OC(=O)OC
InChIInChI=1S/C12H18O6/c1-15-11(13)17-9-7-5-3-4-6-8-10(9)18-12(14)16-2/h3,5,9-10H,4,6-8H2,1-2H3/b5-3-
InChIKeyJZMBFODMLYVORI-HYXAFXHYSA-N
MW258.27 g/mol
LogP2.42
Rot. Bonds2

About [(3Z)-8-methoxycarbonyloxycyclooct-3-en-1-yl] methyl carbonate

[(3Z)-8-methoxycarbonyloxycyclooct-3-en-1-yl] methyl carbonate (PubChem CID 18541565) has the molecular formula C12H18O6 and a molecular weight of 258.27 g/mol. Its IUPAC name is [(3Z)-8-methoxycarbonyloxycyclooct-3-en-1-yl] methyl carbonate.

Molecular Properties

Compound Name[(3Z)-8-methoxycarbonyloxycyclooct-3-en-1-yl] methyl carbonate
PubChem CID18541565
Molecular FormulaC12H18O6
Molecular Weight258.27 g/mol
Exact Mass258.11
IUPAC Name[(3Z)-8-methoxycarbonyloxycyclooct-3-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1C/C=C\CCCC1OC(=O)OC
InChIInChI=1S/C12H18O6/c1-15-11(13)17-9-7-5-3-4-6-8-10(9)18-12(14)16-2/h3,5,9-10H,4,6-8H2,1-2H3/b5-3-
InChIKeyJZMBFODMLYVORI-HYXAFXHYSA-N
XLogP2.42
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Carbonic acid, 4-cycloocten-1-yl methyl ester
CID 5463762
Cyclooct-4-en-1-yl methyl carbonate
CID 54027559
[(3Z)-2,2-difluorocyclooct-3-en-1-yl] methyl carbonate
CID 146370502
[(1S,4Z,8S)-8-(2-methoxyethoxymethoxy)cyclooct-4-en-1-yl] acetate
CID 10802138
[(4Z)-8-methoxycarbonyloxycyclooct-4-en-1-yl] methyl carbonate
CID 18541560
[(4Z)-2-acetyloxycyclooct-4-en-1-yl] acetate
CID 18541564
[(4Z)-cyclooct-4-en-1-yl] ethyl carbonate
CID 20437243
(2-Methoxycarbonyloxycyclohept-4-en-1-yl) methyl carbonate
CID 23092716
methyl [(4Z)-5-methylcyclooct-4-en-1-yl] carbonate
CID 23092724
[(4Z)-8-methoxycarbonyloxy-1,4-dimethylcyclooct-4-en-1-yl] methyl carbonate
CID 23092731
[(3Z)-cyclooct-3-en-1-yl] methyl carbonate
CID 23092735
methyl [(3Z)-3-methylcyclooct-3-en-1-yl] carbonate
CID 23092740

Frequently Asked Questions

What is the IUPAC name of [(3Z)-8-methoxycarbonyloxycyclooct-3-en-1-yl] methyl carbonate?
The IUPAC name of [(3Z)-8-methoxycarbonyloxycyclooct-3-en-1-yl] methyl carbonate (CID 18541565) is [(3Z)-8-methoxycarbonyloxycyclooct-3-en-1-yl] methyl carbonate.
What is the SMILES notation for [(3Z)-8-methoxycarbonyloxycyclooct-3-en-1-yl] methyl carbonate?
The canonical SMILES for [(3Z)-8-methoxycarbonyloxycyclooct-3-en-1-yl] methyl carbonate is COC(=O)OC1C/C=C\CCCC1OC(=O)OC.
What is the InChIKey of [(3Z)-8-methoxycarbonyloxycyclooct-3-en-1-yl] methyl carbonate?
The InChIKey is JZMBFODMLYVORI-HYXAFXHYSA-N. The full InChI is InChI=1S/C12H18O6/c1-15-11(13)17-9-7-5-3-4-6-8-10(9)18-12(14)16-2/h3,5,9-10H,4,6-8H2,1-2H3/b5-3-.
What are the key properties of [(3Z)-8-methoxycarbonyloxycyclooct-3-en-1-yl] methyl carbonate?
[(3Z)-8-methoxycarbonyloxycyclooct-3-en-1-yl] methyl carbonate has a molecular weight of 258.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-8-methoxycarbonyloxycyclooct-3-en-1-yl] methyl carbonate is sourced from PubChem (CID 18541565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).