8,10-diethoxy-10-methoxy-2,6-dimethylundeca-2,6-diene

C18H34O3 — CID 71338869

IUPAC8,10-diethoxy-10-methoxy-2,6-dimethylundeca-2,6-diene
SMILESCCOC(C=C(C)CCC=C(C)C)CC(C)(OC)OCC
InChIInChI=1S/C18H34O3/c1-8-20-17(14-18(6,19-7)21-9-2)13-16(5)12-10-11-15(3)4/h11,13,17H,8-10,12,14H2,1-7H3
InChIKeyPRKYYKKOXYSWNO-UHFFFAOYSA-N
MW298.47 g/mol
LogP4.87
Rot. Bonds11

About 8,10-diethoxy-10-methoxy-2,6-dimethylundeca-2,6-diene

8,10-diethoxy-10-methoxy-2,6-dimethylundeca-2,6-diene (PubChem CID 71338869) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is 8,10-diethoxy-10-methoxy-2,6-dimethylundeca-2,6-diene.

Molecular Properties

Compound Name8,10-diethoxy-10-methoxy-2,6-dimethylundeca-2,6-diene
PubChem CID71338869
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name8,10-diethoxy-10-methoxy-2,6-dimethylundeca-2,6-diene
SMILESCCOC(C=C(C)CCC=C(C)C)CC(C)(OC)OCC
InChIInChI=1S/C18H34O3/c1-8-20-17(14-18(6,19-7)21-9-2)13-16(5)12-10-11-15(3)4/h11,13,17H,8-10,12,14H2,1-7H3
InChIKeyPRKYYKKOXYSWNO-UHFFFAOYSA-N
XLogP4.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.87
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'}

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Frequently Asked Questions

What is the IUPAC name of 8,10-diethoxy-10-methoxy-2,6-dimethylundeca-2,6-diene?
The IUPAC name of 8,10-diethoxy-10-methoxy-2,6-dimethylundeca-2,6-diene (CID 71338869) is 8,10-diethoxy-10-methoxy-2,6-dimethylundeca-2,6-diene.
What is the SMILES notation for 8,10-diethoxy-10-methoxy-2,6-dimethylundeca-2,6-diene?
The canonical SMILES for 8,10-diethoxy-10-methoxy-2,6-dimethylundeca-2,6-diene is CCOC(C=C(C)CCC=C(C)C)CC(C)(OC)OCC.
What is the InChIKey of 8,10-diethoxy-10-methoxy-2,6-dimethylundeca-2,6-diene?
The InChIKey is PRKYYKKOXYSWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3/c1-8-20-17(14-18(6,19-7)21-9-2)13-16(5)12-10-11-15(3)4/h11,13,17H,8-10,12,14H2,1-7H3.
What are the key properties of 8,10-diethoxy-10-methoxy-2,6-dimethylundeca-2,6-diene?
8,10-diethoxy-10-methoxy-2,6-dimethylundeca-2,6-diene has a molecular weight of 298.47 g/mol, XLogP of 4.87, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-diethoxy-10-methoxy-2,6-dimethylundeca-2,6-diene is sourced from PubChem (CID 71338869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).