(2E,4E,6E)-2-[(2E)-2,5-dimethylhexa-2,4-dienoxy]-5,6,9-trimethyldeca-2,4,6,8-tetraene

C21H32O — CID 155049723

IUPAC(2E,4E,6E)-2-[(2E)-2,5-dimethylhexa-2,4-dienoxy]-5,6,9-trimethyldeca-2,4,6,8-tetraene
SMILESCC(C)=C/C=C(\C)CO/C(C)=C/C=C(C)/C(C)=C/C=C(C)C
InChIInChI=1S/C21H32O/c1-16(2)9-11-18(5)15-22-21(8)14-13-20(7)19(6)12-10-17(3)4/h9-14H,15H2,1-8H3/b18-11+,19-12+,20-13+,21-14+
InChIKeyWZBQCJIINHJRCJ-LDXZQUSTSA-N
MW300.49 g/mol
LogP6.68
Rot. Bonds7

About (2E,4E,6E)-2-[(2E)-2,5-dimethylhexa-2,4-dienoxy]-5,6,9-trimethyldeca-2,4,6,8-tetraene

(2E,4E,6E)-2-[(2E)-2,5-dimethylhexa-2,4-dienoxy]-5,6,9-trimethyldeca-2,4,6,8-tetraene (PubChem CID 155049723) has the molecular formula C21H32O and a molecular weight of 300.49 g/mol. Its IUPAC name is (2E,4E,6E)-2-[(2E)-2,5-dimethylhexa-2,4-dienoxy]-5,6,9-trimethyldeca-2,4,6,8-tetraene.

Molecular Properties

Compound Name(2E,4E,6E)-2-[(2E)-2,5-dimethylhexa-2,4-dienoxy]-5,6,9-trimethyldeca-2,4,6,8-tetraene
PubChem CID155049723
Molecular FormulaC21H32O
Molecular Weight300.49 g/mol
Exact Mass300.25
IUPAC Name(2E,4E,6E)-2-[(2E)-2,5-dimethylhexa-2,4-dienoxy]-5,6,9-trimethyldeca-2,4,6,8-tetraene
SMILESCC(C)=C/C=C(\C)CO/C(C)=C/C=C(C)/C(C)=C/C=C(C)C
InChIInChI=1S/C21H32O/c1-16(2)9-11-18(5)15-22-21(8)14-13-20(7)19(6)12-10-17(3)4/h9-14H,15H2,1-8H3/b18-11+,19-12+,20-13+,21-14+
InChIKeyWZBQCJIINHJRCJ-LDXZQUSTSA-N
XLogP6.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-2-[(2E)-2,5-dimethylhexa-2,4-dienoxy]-5,6,9-trimethyldeca-2,4,6,8-tetraene?
The IUPAC name of (2E,4E,6E)-2-[(2E)-2,5-dimethylhexa-2,4-dienoxy]-5,6,9-trimethyldeca-2,4,6,8-tetraene (CID 155049723) is (2E,4E,6E)-2-[(2E)-2,5-dimethylhexa-2,4-dienoxy]-5,6,9-trimethyldeca-2,4,6,8-tetraene.
What is the SMILES notation for (2E,4E,6E)-2-[(2E)-2,5-dimethylhexa-2,4-dienoxy]-5,6,9-trimethyldeca-2,4,6,8-tetraene?
The canonical SMILES for (2E,4E,6E)-2-[(2E)-2,5-dimethylhexa-2,4-dienoxy]-5,6,9-trimethyldeca-2,4,6,8-tetraene is CC(C)=C/C=C(\C)CO/C(C)=C/C=C(C)/C(C)=C/C=C(C)C.
What is the InChIKey of (2E,4E,6E)-2-[(2E)-2,5-dimethylhexa-2,4-dienoxy]-5,6,9-trimethyldeca-2,4,6,8-tetraene?
The InChIKey is WZBQCJIINHJRCJ-LDXZQUSTSA-N. The full InChI is InChI=1S/C21H32O/c1-16(2)9-11-18(5)15-22-21(8)14-13-20(7)19(6)12-10-17(3)4/h9-14H,15H2,1-8H3/b18-11+,19-12+,20-13+,21-14+.
What are the key properties of (2E,4E,6E)-2-[(2E)-2,5-dimethylhexa-2,4-dienoxy]-5,6,9-trimethyldeca-2,4,6,8-tetraene?
(2E,4E,6E)-2-[(2E)-2,5-dimethylhexa-2,4-dienoxy]-5,6,9-trimethyldeca-2,4,6,8-tetraene has a molecular weight of 300.49 g/mol, XLogP of 6.68, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-2-[(2E)-2,5-dimethylhexa-2,4-dienoxy]-5,6,9-trimethyldeca-2,4,6,8-tetraene is sourced from PubChem (CID 155049723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).