methyl (Z)-8,8-dimethoxyoct-4-enoate

C11H20O4 — CID 12812681

IUPACmethyl (Z)-8,8-dimethoxyoct-4-enoate
SMILESCOC(=O)CC/C=C\CCC(OC)OC
InChIInChI=1S/C11H20O4/c1-13-10(12)8-6-4-5-7-9-11(14-2)15-3/h4-5,11H,6-9H2,1-3H3/b5-4-
InChIKeyHCSZWGHWZNDBSA-PLNGDYQASA-N
MW216.28 g/mol
LogP1.89
Rot. Bonds8

About methyl (Z)-8,8-dimethoxyoct-4-enoate

methyl (Z)-8,8-dimethoxyoct-4-enoate (PubChem CID 12812681) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl (Z)-8,8-dimethoxyoct-4-enoate.

Molecular Properties

Compound Namemethyl (Z)-8,8-dimethoxyoct-4-enoate
PubChem CID12812681
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namemethyl (Z)-8,8-dimethoxyoct-4-enoate
SMILESCOC(=O)CC/C=C\CCC(OC)OC
InChIInChI=1S/C11H20O4/c1-13-10(12)8-6-4-5-7-9-11(14-2)15-3/h4-5,11H,6-9H2,1-3H3/b5-4-
InChIKeyHCSZWGHWZNDBSA-PLNGDYQASA-N
XLogP1.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl (Z)-8,8-dimethoxyoct-4-enoate 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 (Z)-8,8-dimethoxyoct-4-enoate?
The IUPAC name of methyl (Z)-8,8-dimethoxyoct-4-enoate (CID 12812681) is methyl (Z)-8,8-dimethoxyoct-4-enoate.
What is the SMILES notation for methyl (Z)-8,8-dimethoxyoct-4-enoate?
The canonical SMILES for methyl (Z)-8,8-dimethoxyoct-4-enoate is COC(=O)CC/C=C\CCC(OC)OC.
What is the InChIKey of methyl (Z)-8,8-dimethoxyoct-4-enoate?
The InChIKey is HCSZWGHWZNDBSA-PLNGDYQASA-N. The full InChI is InChI=1S/C11H20O4/c1-13-10(12)8-6-4-5-7-9-11(14-2)15-3/h4-5,11H,6-9H2,1-3H3/b5-4-.
What are the key properties of methyl (Z)-8,8-dimethoxyoct-4-enoate?
methyl (Z)-8,8-dimethoxyoct-4-enoate has a molecular weight of 216.28 g/mol, XLogP of 1.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-8,8-dimethoxyoct-4-enoate is sourced from PubChem (CID 12812681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).