[(4E)-5,8,9-trimethyldeca-1,4,8-trien-3-yl]oxymethylbenzene

C20H28O — CID 12023386

IUPAC[(4E)-5,8,9-trimethyldeca-1,4,8-trien-3-yl]oxymethylbenzene
SMILESC=CC(/C=C(\C)CCC(C)=C(C)C)OCc1ccccc1
InChIInChI=1S/C20H28O/c1-6-20(21-15-19-10-8-7-9-11-19)14-17(4)12-13-18(5)16(2)3/h6-11,14,20H,1,12-13,15H2,2-5H3/b17-14+
InChIKeyZASGOLKXVIKVIH-SAPNQHFASA-N
MW284.44 g/mol
LogP5.84
Rot. Bonds8

About [(4E)-5,8,9-trimethyldeca-1,4,8-trien-3-yl]oxymethylbenzene

[(4E)-5,8,9-trimethyldeca-1,4,8-trien-3-yl]oxymethylbenzene (PubChem CID 12023386) has the molecular formula C20H28O and a molecular weight of 284.44 g/mol. Its IUPAC name is [(4E)-5,8,9-trimethyldeca-1,4,8-trien-3-yl]oxymethylbenzene.

Molecular Properties

Compound Name[(4E)-5,8,9-trimethyldeca-1,4,8-trien-3-yl]oxymethylbenzene
PubChem CID12023386
Molecular FormulaC20H28O
Molecular Weight284.44 g/mol
Exact Mass284.21
IUPAC Name[(4E)-5,8,9-trimethyldeca-1,4,8-trien-3-yl]oxymethylbenzene
SMILESC=CC(/C=C(\C)CCC(C)=C(C)C)OCc1ccccc1
InChIInChI=1S/C20H28O/c1-6-20(21-15-19-10-8-7-9-11-19)14-17(4)12-13-18(5)16(2)3/h6-11,14,20H,1,12-13,15H2,2-5H3/b17-14+
InChIKeyZASGOLKXVIKVIH-SAPNQHFASA-N
XLogP5.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.44
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(2S,3R)-3-phenylmethoxypent-4-en-2-ol
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4-methylpent-1-en-3-yloxymethylbenzene
CID 14644024
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(3S,4S)-4-methyl-3-phenylmethoxyhex-5-enoic acid
CID 158311215
[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]oxymethylbenzene
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Frequently Asked Questions

What is the IUPAC name of [(4E)-5,8,9-trimethyldeca-1,4,8-trien-3-yl]oxymethylbenzene?
The IUPAC name of [(4E)-5,8,9-trimethyldeca-1,4,8-trien-3-yl]oxymethylbenzene (CID 12023386) is [(4E)-5,8,9-trimethyldeca-1,4,8-trien-3-yl]oxymethylbenzene.
What is the SMILES notation for [(4E)-5,8,9-trimethyldeca-1,4,8-trien-3-yl]oxymethylbenzene?
The canonical SMILES for [(4E)-5,8,9-trimethyldeca-1,4,8-trien-3-yl]oxymethylbenzene is C=CC(/C=C(\C)CCC(C)=C(C)C)OCc1ccccc1.
What is the InChIKey of [(4E)-5,8,9-trimethyldeca-1,4,8-trien-3-yl]oxymethylbenzene?
The InChIKey is ZASGOLKXVIKVIH-SAPNQHFASA-N. The full InChI is InChI=1S/C20H28O/c1-6-20(21-15-19-10-8-7-9-11-19)14-17(4)12-13-18(5)16(2)3/h6-11,14,20H,1,12-13,15H2,2-5H3/b17-14+.
What are the key properties of [(4E)-5,8,9-trimethyldeca-1,4,8-trien-3-yl]oxymethylbenzene?
[(4E)-5,8,9-trimethyldeca-1,4,8-trien-3-yl]oxymethylbenzene has a molecular weight of 284.44 g/mol, XLogP of 5.84, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-5,8,9-trimethyldeca-1,4,8-trien-3-yl]oxymethylbenzene is sourced from PubChem (CID 12023386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).