methyl [(4Z)-5-methylcyclooct-4-en-1-yl] carbonate

C11H18O3 — CID 23092724

IUPACmethyl [(4Z)-5-methylcyclooct-4-en-1-yl] carbonate
SMILESCOC(=O)OC1CC/C=C(/C)CCC1
InChIInChI=1S/C11H18O3/c1-9-5-3-7-10(8-4-6-9)14-11(12)13-2/h5,10H,3-4,6-8H2,1-2H3/b9-5-
InChIKeyUXGVNDVVNXQKNA-UITAMQMPSA-N
MW198.26 g/mol
LogP3.05
Rot. Bonds1

About methyl [(4Z)-5-methylcyclooct-4-en-1-yl] carbonate

methyl [(4Z)-5-methylcyclooct-4-en-1-yl] carbonate (PubChem CID 23092724) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is methyl [(4Z)-5-methylcyclooct-4-en-1-yl] carbonate.

Molecular Properties

Compound Namemethyl [(4Z)-5-methylcyclooct-4-en-1-yl] carbonate
PubChem CID23092724
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namemethyl [(4Z)-5-methylcyclooct-4-en-1-yl] carbonate
SMILESCOC(=O)OC1CC/C=C(/C)CCC1
InChIInChI=1S/C11H18O3/c1-9-5-3-7-10(8-4-6-9)14-11(12)13-2/h5,10H,3-4,6-8H2,1-2H3/b9-5-
InChIKeyUXGVNDVVNXQKNA-UITAMQMPSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
[(5E)-6,10-dimethylundeca-5,9-dien-2-yl] methyl carbonate
CID 15677783
[(4Z)-8-methoxycarbonyloxycyclooct-4-en-1-yl] methyl carbonate
CID 18541560
[(3Z)-8-methoxycarbonyloxycyclooct-3-en-1-yl] methyl carbonate
CID 18541565
Methyl (4-methylcyclohex-3-en-1-yl) carbonate
CID 19901992
[(4Z)-cyclooct-4-en-1-yl] ethyl carbonate
CID 20437243
[(4Z)-4-methylcyclooct-4-en-1-yl] acetate
CID 23092720
[(4Z)-8-methoxycarbonyloxy-1,4-dimethylcyclooct-4-en-1-yl] methyl carbonate
CID 23092731
[(3Z)-cyclooct-3-en-1-yl] methyl carbonate
CID 23092735
[(4Z)-4,8-dimethylcyclooct-4-en-1-yl] methyl carbonate
CID 23092736
methyl [(3Z)-3-methylcyclooct-3-en-1-yl] carbonate
CID 23092740

Frequently Asked Questions

What is the IUPAC name of methyl [(4Z)-5-methylcyclooct-4-en-1-yl] carbonate?
The IUPAC name of methyl [(4Z)-5-methylcyclooct-4-en-1-yl] carbonate (CID 23092724) is methyl [(4Z)-5-methylcyclooct-4-en-1-yl] carbonate.
What is the SMILES notation for methyl [(4Z)-5-methylcyclooct-4-en-1-yl] carbonate?
The canonical SMILES for methyl [(4Z)-5-methylcyclooct-4-en-1-yl] carbonate is COC(=O)OC1CC/C=C(/C)CCC1.
What is the InChIKey of methyl [(4Z)-5-methylcyclooct-4-en-1-yl] carbonate?
The InChIKey is UXGVNDVVNXQKNA-UITAMQMPSA-N. The full InChI is InChI=1S/C11H18O3/c1-9-5-3-7-10(8-4-6-9)14-11(12)13-2/h5,10H,3-4,6-8H2,1-2H3/b9-5-.
What are the key properties of methyl [(4Z)-5-methylcyclooct-4-en-1-yl] carbonate?
methyl [(4Z)-5-methylcyclooct-4-en-1-yl] carbonate has a molecular weight of 198.26 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [(4Z)-5-methylcyclooct-4-en-1-yl] carbonate is sourced from PubChem (CID 23092724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).