8,10,10-triethoxy-2,6-dimethylundeca-2,6-diene

C19H36O3 — CID 86111070

IUPAC8,10,10-triethoxy-2,6-dimethylundeca-2,6-diene
SMILESCCOC(C=C(C)CCC=C(C)C)CC(C)(OCC)OCC
InChIInChI=1S/C19H36O3/c1-8-20-18(14-17(6)13-11-12-16(4)5)15-19(7,21-9-2)22-10-3/h12,14,18H,8-11,13,15H2,1-7H3
InChIKeyDGIVSBYMBZCXPD-UHFFFAOYSA-N
MW312.49 g/mol
LogP5.26
Rot. Bonds12

About 8,10,10-triethoxy-2,6-dimethylundeca-2,6-diene

8,10,10-triethoxy-2,6-dimethylundeca-2,6-diene (PubChem CID 86111070) has the molecular formula C19H36O3 and a molecular weight of 312.49 g/mol. Its IUPAC name is 8,10,10-triethoxy-2,6-dimethylundeca-2,6-diene.

Molecular Properties

Compound Name8,10,10-triethoxy-2,6-dimethylundeca-2,6-diene
PubChem CID86111070
Molecular FormulaC19H36O3
Molecular Weight312.49 g/mol
Exact Mass312.27
IUPAC Name8,10,10-triethoxy-2,6-dimethylundeca-2,6-diene
SMILESCCOC(C=C(C)CCC=C(C)C)CC(C)(OCC)OCC
InChIInChI=1S/C19H36O3/c1-8-20-18(14-17(6)13-11-12-16(4)5)15-19(7,21-9-2)22-10-3/h12,14,18H,8-11,13,15H2,1-7H3
InChIKeyDGIVSBYMBZCXPD-UHFFFAOYSA-N
XLogP5.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.49
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8,10,10-triethoxy-2,6-dimethylundeca-2,6-diene with MolForge

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

Launch Full Analysis

Related Compounds

1,3-Dioxane, 2-(2,6-dimethyl-1,5-heptadien-1-yl)-4-methyl-
CID 5356478
1,3-Dioxane, 2-(2,6-dimethyl-1,5-heptadien-1-yl)-4,4,6-trimethyl-
CID 6437441
2-(Dipropoxymethyl)-6,10-dimethylundeca-1,5,9-triene
CID 53788053
tert-butyl [(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] carbonate
CID 90364546
4-Decene, 1,1,3-triethoxy-
CID 6450413
4-Nonene, 1,1,3-triethoxy-
CID 6450414
4-Undecene, 1,1,3-triethoxy-
CID 71440114
10-Ethoxy-8,10-dimethoxy-2,6-dimethyldeca-2,6-diene
CID 177700592
3,3,6,6-Tetramethoxy-1-(1-methoxyethyl)cyclohexa-1,4-diene
CID 12488281
(5R,7R)-2-ethyl-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene
CID 14788910
8,10-Diethoxy-10-methoxy-2,6-dimethylundeca-2,6-diene
CID 71338869
(2E)-1-(1,1-dimethoxyethoxy)-3,7-dimethylocta-2,6-diene
CID 129700043

Frequently Asked Questions

What is the IUPAC name of 8,10,10-triethoxy-2,6-dimethylundeca-2,6-diene?
The IUPAC name of 8,10,10-triethoxy-2,6-dimethylundeca-2,6-diene (CID 86111070) is 8,10,10-triethoxy-2,6-dimethylundeca-2,6-diene.
What is the SMILES notation for 8,10,10-triethoxy-2,6-dimethylundeca-2,6-diene?
The canonical SMILES for 8,10,10-triethoxy-2,6-dimethylundeca-2,6-diene is CCOC(C=C(C)CCC=C(C)C)CC(C)(OCC)OCC.
What is the InChIKey of 8,10,10-triethoxy-2,6-dimethylundeca-2,6-diene?
The InChIKey is DGIVSBYMBZCXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O3/c1-8-20-18(14-17(6)13-11-12-16(4)5)15-19(7,21-9-2)22-10-3/h12,14,18H,8-11,13,15H2,1-7H3.
What are the key properties of 8,10,10-triethoxy-2,6-dimethylundeca-2,6-diene?
8,10,10-triethoxy-2,6-dimethylundeca-2,6-diene has a molecular weight of 312.49 g/mol, XLogP of 5.26, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10,10-triethoxy-2,6-dimethylundeca-2,6-diene is sourced from PubChem (CID 86111070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).