[(4Z)-4,8-dimethylcyclooct-4-en-1-yl] methyl carbonate

C12H20O3 — CID 23092736

IUPAC[(4Z)-4,8-dimethylcyclooct-4-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1CC/C(C)=C\CCC1C
InChIInChI=1S/C12H20O3/c1-9-5-4-6-10(2)11(8-7-9)15-12(13)14-3/h5,10-11H,4,6-8H2,1-3H3/b9-5-
InChIKeyPPRVEZPVKSTUAJ-UITAMQMPSA-N
MW212.29 g/mol
LogP3.29
Rot. Bonds1

About [(4Z)-4,8-dimethylcyclooct-4-en-1-yl] methyl carbonate

[(4Z)-4,8-dimethylcyclooct-4-en-1-yl] methyl carbonate (PubChem CID 23092736) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is [(4Z)-4,8-dimethylcyclooct-4-en-1-yl] methyl carbonate.

Molecular Properties

Compound Name[(4Z)-4,8-dimethylcyclooct-4-en-1-yl] methyl carbonate
PubChem CID23092736
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name[(4Z)-4,8-dimethylcyclooct-4-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1CC/C(C)=C\CCC1C
InChIInChI=1S/C12H20O3/c1-9-5-4-6-10(2)11(8-7-9)15-12(13)14-3/h5,10-11H,4,6-8H2,1-3H3/b9-5-
InChIKeyPPRVEZPVKSTUAJ-UITAMQMPSA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(4Z)-4,8-dimethylcyclooct-4-en-1-yl] methyl carbonate?
The IUPAC name of [(4Z)-4,8-dimethylcyclooct-4-en-1-yl] methyl carbonate (CID 23092736) is [(4Z)-4,8-dimethylcyclooct-4-en-1-yl] methyl carbonate.
What is the SMILES notation for [(4Z)-4,8-dimethylcyclooct-4-en-1-yl] methyl carbonate?
The canonical SMILES for [(4Z)-4,8-dimethylcyclooct-4-en-1-yl] methyl carbonate is COC(=O)OC1CC/C(C)=C\CCC1C.
What is the InChIKey of [(4Z)-4,8-dimethylcyclooct-4-en-1-yl] methyl carbonate?
The InChIKey is PPRVEZPVKSTUAJ-UITAMQMPSA-N. The full InChI is InChI=1S/C12H20O3/c1-9-5-4-6-10(2)11(8-7-9)15-12(13)14-3/h5,10-11H,4,6-8H2,1-3H3/b9-5-.
What are the key properties of [(4Z)-4,8-dimethylcyclooct-4-en-1-yl] methyl carbonate?
[(4Z)-4,8-dimethylcyclooct-4-en-1-yl] methyl carbonate has a molecular weight of 212.29 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-4,8-dimethylcyclooct-4-en-1-yl] methyl carbonate is sourced from PubChem (CID 23092736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).