[(2E)-4-methoxycyclooct-2-en-1-yl] methyl carbonate

C11H18O4 — CID 90183035

IUPAC[(2E)-4-methoxycyclooct-2-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1/C=C\C(OC)CCCC1
InChIInChI=1S/C11H18O4/c1-13-9-5-3-4-6-10(8-7-9)15-11(12)14-2/h7-10H,3-6H2,1-2H3/b8-7-
InChIKeyIOJAYQBJTUXCCB-FPLPWBNLSA-N
MW214.26 g/mol
LogP2.28
Rot. Bonds2

About [(2E)-4-methoxycyclooct-2-en-1-yl] methyl carbonate

[(2E)-4-methoxycyclooct-2-en-1-yl] methyl carbonate (PubChem CID 90183035) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is [(2E)-4-methoxycyclooct-2-en-1-yl] methyl carbonate.

Molecular Properties

Compound Name[(2E)-4-methoxycyclooct-2-en-1-yl] methyl carbonate
PubChem CID90183035
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name[(2E)-4-methoxycyclooct-2-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1/C=C\C(OC)CCCC1
InChIInChI=1S/C11H18O4/c1-13-9-5-3-4-6-10(8-7-9)15-11(12)14-2/h7-10H,3-6H2,1-2H3/b8-7-
InChIKeyIOJAYQBJTUXCCB-FPLPWBNLSA-N
XLogP2.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2E)-4-methoxycyclooct-2-en-1-yl] methyl 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 [(2E)-4-methoxycyclooct-2-en-1-yl] methyl carbonate?
The IUPAC name of [(2E)-4-methoxycyclooct-2-en-1-yl] methyl carbonate (CID 90183035) is [(2E)-4-methoxycyclooct-2-en-1-yl] methyl carbonate.
What is the SMILES notation for [(2E)-4-methoxycyclooct-2-en-1-yl] methyl carbonate?
The canonical SMILES for [(2E)-4-methoxycyclooct-2-en-1-yl] methyl carbonate is COC(=O)OC1/C=C\C(OC)CCCC1.
What is the InChIKey of [(2E)-4-methoxycyclooct-2-en-1-yl] methyl carbonate?
The InChIKey is IOJAYQBJTUXCCB-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H18O4/c1-13-9-5-3-4-6-10(8-7-9)15-11(12)14-2/h7-10H,3-6H2,1-2H3/b8-7-.
What are the key properties of [(2E)-4-methoxycyclooct-2-en-1-yl] methyl carbonate?
[(2E)-4-methoxycyclooct-2-en-1-yl] methyl carbonate has a molecular weight of 214.26 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-4-methoxycyclooct-2-en-1-yl] methyl carbonate is sourced from PubChem (CID 90183035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).