(6E,8E,10E)-4-methoxy-2,6,11-trimethyltrideca-2,6,8,10-tetraene

C17H28O — CID 59977352

IUPAC(6E,8E,10E)-4-methoxy-2,6,11-trimethyltrideca-2,6,8,10-tetraene
SMILESCC/C(C)=C/C=C/C=C(\C)CC(C=C(C)C)OC
InChIInChI=1S/C17H28O/c1-7-15(4)10-8-9-11-16(5)13-17(18-6)12-14(2)3/h8-12,17H,7,13H2,1-6H3/b9-8+,15-10+,16-11+
InChIKeyFDBZVJSPJMKAHS-BADRZPNPSA-N
MW248.41 g/mol
LogP5.22
Rot. Bonds7

About (6E,8E,10E)-4-methoxy-2,6,11-trimethyltrideca-2,6,8,10-tetraene

(6E,8E,10E)-4-methoxy-2,6,11-trimethyltrideca-2,6,8,10-tetraene (PubChem CID 59977352) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is (6E,8E,10E)-4-methoxy-2,6,11-trimethyltrideca-2,6,8,10-tetraene.

Molecular Properties

Compound Name(6E,8E,10E)-4-methoxy-2,6,11-trimethyltrideca-2,6,8,10-tetraene
PubChem CID59977352
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name(6E,8E,10E)-4-methoxy-2,6,11-trimethyltrideca-2,6,8,10-tetraene
SMILESCC/C(C)=C/C=C/C=C(\C)CC(C=C(C)C)OC
InChIInChI=1S/C17H28O/c1-7-15(4)10-8-9-11-16(5)13-17(18-6)12-14(2)3/h8-12,17H,7,13H2,1-6H3/b9-8+,15-10+,16-11+
InChIKeyFDBZVJSPJMKAHS-BADRZPNPSA-N
XLogP5.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.41
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E,8E,10E)-4-methoxy-2,6,11-trimethyltrideca-2,6,8,10-tetraene?
The IUPAC name of (6E,8E,10E)-4-methoxy-2,6,11-trimethyltrideca-2,6,8,10-tetraene (CID 59977352) is (6E,8E,10E)-4-methoxy-2,6,11-trimethyltrideca-2,6,8,10-tetraene.
What is the SMILES notation for (6E,8E,10E)-4-methoxy-2,6,11-trimethyltrideca-2,6,8,10-tetraene?
The canonical SMILES for (6E,8E,10E)-4-methoxy-2,6,11-trimethyltrideca-2,6,8,10-tetraene is CC/C(C)=C/C=C/C=C(\C)CC(C=C(C)C)OC.
What is the InChIKey of (6E,8E,10E)-4-methoxy-2,6,11-trimethyltrideca-2,6,8,10-tetraene?
The InChIKey is FDBZVJSPJMKAHS-BADRZPNPSA-N. The full InChI is InChI=1S/C17H28O/c1-7-15(4)10-8-9-11-16(5)13-17(18-6)12-14(2)3/h8-12,17H,7,13H2,1-6H3/b9-8+,15-10+,16-11+.
What are the key properties of (6E,8E,10E)-4-methoxy-2,6,11-trimethyltrideca-2,6,8,10-tetraene?
(6E,8E,10E)-4-methoxy-2,6,11-trimethyltrideca-2,6,8,10-tetraene has a molecular weight of 248.41 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8E,10E)-4-methoxy-2,6,11-trimethyltrideca-2,6,8,10-tetraene is sourced from PubChem (CID 59977352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).