methyl [(2E)-6-methylcyclooct-2-en-1-yl] carbonate

C11H18O3 — CID 90182965

IUPACmethyl [(2E)-6-methylcyclooct-2-en-1-yl] carbonate
SMILESCOC(=O)OC1/C=C\CCC(C)CC1
InChIInChI=1S/C11H18O3/c1-9-5-3-4-6-10(8-7-9)14-11(12)13-2/h4,6,9-10H,3,5,7-8H2,1-2H3/b6-4-
InChIKeyRDYDKQIAEPZWFP-XQRVVYSFSA-N
MW198.26 g/mol
LogP2.90
Rot. Bonds1

About methyl [(2E)-6-methylcyclooct-2-en-1-yl] carbonate

methyl [(2E)-6-methylcyclooct-2-en-1-yl] carbonate (PubChem CID 90182965) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is methyl [(2E)-6-methylcyclooct-2-en-1-yl] carbonate.

Molecular Properties

Compound Namemethyl [(2E)-6-methylcyclooct-2-en-1-yl] carbonate
PubChem CID90182965
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namemethyl [(2E)-6-methylcyclooct-2-en-1-yl] carbonate
SMILESCOC(=O)OC1/C=C\CCC(C)CC1
InChIInChI=1S/C11H18O3/c1-9-5-3-4-6-10(8-7-9)14-11(12)13-2/h4,6,9-10H,3,5,7-8H2,1-2H3/b6-4-
InChIKeyRDYDKQIAEPZWFP-XQRVVYSFSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl [(2E)-6-methylcyclooct-2-en-1-yl] carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl [(2E)-6-methylcyclooct-2-en-1-yl] carbonate?
The IUPAC name of methyl [(2E)-6-methylcyclooct-2-en-1-yl] carbonate (CID 90182965) is methyl [(2E)-6-methylcyclooct-2-en-1-yl] carbonate.
What is the SMILES notation for methyl [(2E)-6-methylcyclooct-2-en-1-yl] carbonate?
The canonical SMILES for methyl [(2E)-6-methylcyclooct-2-en-1-yl] carbonate is COC(=O)OC1/C=C\CCC(C)CC1.
What is the InChIKey of methyl [(2E)-6-methylcyclooct-2-en-1-yl] carbonate?
The InChIKey is RDYDKQIAEPZWFP-XQRVVYSFSA-N. The full InChI is InChI=1S/C11H18O3/c1-9-5-3-4-6-10(8-7-9)14-11(12)13-2/h4,6,9-10H,3,5,7-8H2,1-2H3/b6-4-.
What are the key properties of methyl [(2E)-6-methylcyclooct-2-en-1-yl] carbonate?
methyl [(2E)-6-methylcyclooct-2-en-1-yl] carbonate has a molecular weight of 198.26 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [(2E)-6-methylcyclooct-2-en-1-yl] carbonate is sourced from PubChem (CID 90182965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).