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

C11H18O3 — CID 23092740

IUPACmethyl [(3Z)-3-methylcyclooct-3-en-1-yl] carbonate
SMILESCOC(=O)OC1CCCC/C=C(/C)C1
InChIInChI=1S/C11H18O3/c1-9-6-4-3-5-7-10(8-9)14-11(12)13-2/h6,10H,3-5,7-8H2,1-2H3/b9-6-
InChIKeyGBQQDZBGMCKCKV-TWGQIWQCSA-N
MW198.26 g/mol
LogP3.05
Rot. Bonds1

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

methyl [(3Z)-3-methylcyclooct-3-en-1-yl] carbonate (PubChem CID 23092740) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is methyl [(3Z)-3-methylcyclooct-3-en-1-yl] carbonate.

Molecular Properties

Compound Namemethyl [(3Z)-3-methylcyclooct-3-en-1-yl] carbonate
PubChem CID23092740
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namemethyl [(3Z)-3-methylcyclooct-3-en-1-yl] carbonate
SMILESCOC(=O)OC1CCCC/C=C(/C)C1
InChIInChI=1S/C11H18O3/c1-9-6-4-3-5-7-10(8-9)14-11(12)13-2/h6,10H,3-5,7-8H2,1-2H3/b9-6-
InChIKeyGBQQDZBGMCKCKV-TWGQIWQCSA-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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Frequently Asked Questions

What is the IUPAC name of methyl [(3Z)-3-methylcyclooct-3-en-1-yl] carbonate?
The IUPAC name of methyl [(3Z)-3-methylcyclooct-3-en-1-yl] carbonate (CID 23092740) is methyl [(3Z)-3-methylcyclooct-3-en-1-yl] carbonate.
What is the SMILES notation for methyl [(3Z)-3-methylcyclooct-3-en-1-yl] carbonate?
The canonical SMILES for methyl [(3Z)-3-methylcyclooct-3-en-1-yl] carbonate is COC(=O)OC1CCCC/C=C(/C)C1.
What is the InChIKey of methyl [(3Z)-3-methylcyclooct-3-en-1-yl] carbonate?
The InChIKey is GBQQDZBGMCKCKV-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H18O3/c1-9-6-4-3-5-7-10(8-9)14-11(12)13-2/h6,10H,3-5,7-8H2,1-2H3/b9-6-.
What are the key properties of methyl [(3Z)-3-methylcyclooct-3-en-1-yl] carbonate?
methyl [(3Z)-3-methylcyclooct-3-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 [(3Z)-3-methylcyclooct-3-en-1-yl] carbonate is sourced from PubChem (CID 23092740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).