(3E,5E)-4,5-dimethoxy-2,2-dimethylocta-3,5-diene

C12H22O2 — CID 88879017

IUPAC(3E,5E)-4,5-dimethoxy-2,2-dimethylocta-3,5-diene
SMILESCC/C=C(OC)\C(=C/C(C)(C)C)OC
InChIInChI=1S/C12H22O2/c1-7-8-10(13-5)11(14-6)9-12(2,3)4/h8-9H,7H2,1-6H3/b10-8+,11-9+
InChIKeyZPYSSEPDGJHWQM-GFULKKFKSA-N
MW198.31 g/mol
LogP3.50
Rot. Bonds4

About (3E,5E)-4,5-dimethoxy-2,2-dimethylocta-3,5-diene

(3E,5E)-4,5-dimethoxy-2,2-dimethylocta-3,5-diene (PubChem CID 88879017) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (3E,5E)-4,5-dimethoxy-2,2-dimethylocta-3,5-diene.

Molecular Properties

Compound Name(3E,5E)-4,5-dimethoxy-2,2-dimethylocta-3,5-diene
PubChem CID88879017
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(3E,5E)-4,5-dimethoxy-2,2-dimethylocta-3,5-diene
SMILESCC/C=C(OC)\C(=C/C(C)(C)C)OC
InChIInChI=1S/C12H22O2/c1-7-8-10(13-5)11(14-6)9-12(2,3)4/h8-9H,7H2,1-6H3/b10-8+,11-9+
InChIKeyZPYSSEPDGJHWQM-GFULKKFKSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3E,5E)-4,5-dimethoxy-2,2-dimethylocta-3,5-diene 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 (3E,5E)-4,5-dimethoxy-2,2-dimethylocta-3,5-diene?
The IUPAC name of (3E,5E)-4,5-dimethoxy-2,2-dimethylocta-3,5-diene (CID 88879017) is (3E,5E)-4,5-dimethoxy-2,2-dimethylocta-3,5-diene.
What is the SMILES notation for (3E,5E)-4,5-dimethoxy-2,2-dimethylocta-3,5-diene?
The canonical SMILES for (3E,5E)-4,5-dimethoxy-2,2-dimethylocta-3,5-diene is CC/C=C(OC)\C(=C/C(C)(C)C)OC.
What is the InChIKey of (3E,5E)-4,5-dimethoxy-2,2-dimethylocta-3,5-diene?
The InChIKey is ZPYSSEPDGJHWQM-GFULKKFKSA-N. The full InChI is InChI=1S/C12H22O2/c1-7-8-10(13-5)11(14-6)9-12(2,3)4/h8-9H,7H2,1-6H3/b10-8+,11-9+.
What are the key properties of (3E,5E)-4,5-dimethoxy-2,2-dimethylocta-3,5-diene?
(3E,5E)-4,5-dimethoxy-2,2-dimethylocta-3,5-diene has a molecular weight of 198.31 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-4,5-dimethoxy-2,2-dimethylocta-3,5-diene is sourced from PubChem (CID 88879017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).