1-ethoxy-3,7,11-trimethyldodeca-2,6,10-triene

C17H30O — CID 56624926

IUPAC1-ethoxy-3,7,11-trimethyldodeca-2,6,10-triene
SMILESCCOCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C17H30O/c1-6-18-14-13-17(5)12-8-11-16(4)10-7-9-15(2)3/h9,11,13H,6-8,10,12,14H2,1-5H3
InChIKeySHOKIRAUFQBXSP-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.44
Rot. Bonds9

About 1-ethoxy-3,7,11-trimethyldodeca-2,6,10-triene

1-ethoxy-3,7,11-trimethyldodeca-2,6,10-triene (PubChem CID 56624926) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-ethoxy-3,7,11-trimethyldodeca-2,6,10-triene.

Molecular Properties

Compound Name1-ethoxy-3,7,11-trimethyldodeca-2,6,10-triene
PubChem CID56624926
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name1-ethoxy-3,7,11-trimethyldodeca-2,6,10-triene
SMILESCCOCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C17H30O/c1-6-18-14-13-17(5)12-8-11-16(4)10-7-9-15(2)3/h9,11,13H,6-8,10,12,14H2,1-5H3
InChIKeySHOKIRAUFQBXSP-UHFFFAOYSA-N
XLogP5.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3,7,11-trimethyldodeca-2,6,10-triene?
The IUPAC name of 1-ethoxy-3,7,11-trimethyldodeca-2,6,10-triene (CID 56624926) is 1-ethoxy-3,7,11-trimethyldodeca-2,6,10-triene.
What is the SMILES notation for 1-ethoxy-3,7,11-trimethyldodeca-2,6,10-triene?
The canonical SMILES for 1-ethoxy-3,7,11-trimethyldodeca-2,6,10-triene is CCOCC=C(C)CCC=C(C)CCC=C(C)C.
What is the InChIKey of 1-ethoxy-3,7,11-trimethyldodeca-2,6,10-triene?
The InChIKey is SHOKIRAUFQBXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-6-18-14-13-17(5)12-8-11-16(4)10-7-9-15(2)3/h9,11,13H,6-8,10,12,14H2,1-5H3.
What are the key properties of 1-ethoxy-3,7,11-trimethyldodeca-2,6,10-triene?
1-ethoxy-3,7,11-trimethyldodeca-2,6,10-triene has a molecular weight of 250.43 g/mol, XLogP of 5.44, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3,7,11-trimethyldodeca-2,6,10-triene is sourced from PubChem (CID 56624926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).