2-[(2E,6Z)-7-(fluoromethyl)-3,11-dimethyldodeca-2,6,10-trienoxy]oxane

C20H33FO2 — CID 25227676

IUPAC2-[(2E,6Z)-7-(fluoromethyl)-3,11-dimethyldodeca-2,6,10-trienoxy]oxane
SMILESCC(C)=CCC/C(=C/CC/C(C)=C/COC1CCCCO1)CF
InChIInChI=1S/C20H33FO2/c1-17(2)8-6-10-19(16-21)11-7-9-18(3)13-15-23-20-12-4-5-14-22-20/h8,11,13,20H,4-7,9-10,12,14-16H2,1-3H3/b18-13+,19-11-
InChIKeyHWKFOUICSZKJTD-UXXKKSSQSA-N
MW324.48 g/mol
LogP5.90
Rot. Bonds10

About 2-[(2E,6Z)-7-(fluoromethyl)-3,11-dimethyldodeca-2,6,10-trienoxy]oxane

2-[(2E,6Z)-7-(fluoromethyl)-3,11-dimethyldodeca-2,6,10-trienoxy]oxane (PubChem CID 25227676) has the molecular formula C20H33FO2 and a molecular weight of 324.48 g/mol. Its IUPAC name is 2-[(2E,6Z)-7-(fluoromethyl)-3,11-dimethyldodeca-2,6,10-trienoxy]oxane.

Molecular Properties

Compound Name2-[(2E,6Z)-7-(fluoromethyl)-3,11-dimethyldodeca-2,6,10-trienoxy]oxane
PubChem CID25227676
Molecular FormulaC20H33FO2
Molecular Weight324.48 g/mol
Exact Mass324.25
IUPAC Name2-[(2E,6Z)-7-(fluoromethyl)-3,11-dimethyldodeca-2,6,10-trienoxy]oxane
SMILESCC(C)=CCC/C(=C/CC/C(C)=C/COC1CCCCO1)CF
InChIInChI=1S/C20H33FO2/c1-17(2)8-6-10-19(16-21)11-7-9-18(3)13-15-23-20-12-4-5-14-22-20/h8,11,13,20H,4-7,9-10,12,14-16H2,1-3H3/b18-13+,19-11-
InChIKeyHWKFOUICSZKJTD-UXXKKSSQSA-N
XLogP5.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.48
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,9,13-trimethyl-15-(oxan-2-yloxy)pentadeca-2,9,13-trien-6-ol
CID 70162877
2,7,11-trimethyl-13-(oxan-2-yloxy)trideca-2,7,11-trien-4-one
CID 54387343
2-[(E)-6-cyclopropylidene-3-methylhex-2-enoxy]oxane
CID 56851675
[(2E,6Z)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] acetate
CID 10469860
(Z)-2-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
CID 59748857
tert-butyl-dimethyl-[(4E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-4,8,12-trienoxy]silane
CID 10928713
7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-yn-4-ol
CID 54406454
2-[(2E,6E)-3,7-dimethyl-8-[2-(2-methylprop-1-enyl)-1,3-dithian-2-yl]octa-2,6-dienoxy]oxane
CID 23726956
(2S)-2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]oxane
CID 93475878
[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-ynyl]-trimethylsilane
CID 138963665
(2Z,6Z)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol
CID 122523167
1-(4-bromophenyl)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-one
CID 54117714

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,6Z)-7-(fluoromethyl)-3,11-dimethyldodeca-2,6,10-trienoxy]oxane?
The IUPAC name of 2-[(2E,6Z)-7-(fluoromethyl)-3,11-dimethyldodeca-2,6,10-trienoxy]oxane (CID 25227676) is 2-[(2E,6Z)-7-(fluoromethyl)-3,11-dimethyldodeca-2,6,10-trienoxy]oxane.
What is the SMILES notation for 2-[(2E,6Z)-7-(fluoromethyl)-3,11-dimethyldodeca-2,6,10-trienoxy]oxane?
The canonical SMILES for 2-[(2E,6Z)-7-(fluoromethyl)-3,11-dimethyldodeca-2,6,10-trienoxy]oxane is CC(C)=CCC/C(=C/CC/C(C)=C/COC1CCCCO1)CF.
What is the InChIKey of 2-[(2E,6Z)-7-(fluoromethyl)-3,11-dimethyldodeca-2,6,10-trienoxy]oxane?
The InChIKey is HWKFOUICSZKJTD-UXXKKSSQSA-N. The full InChI is InChI=1S/C20H33FO2/c1-17(2)8-6-10-19(16-21)11-7-9-18(3)13-15-23-20-12-4-5-14-22-20/h8,11,13,20H,4-7,9-10,12,14-16H2,1-3H3/b18-13+,19-11-.
What are the key properties of 2-[(2E,6Z)-7-(fluoromethyl)-3,11-dimethyldodeca-2,6,10-trienoxy]oxane?
2-[(2E,6Z)-7-(fluoromethyl)-3,11-dimethyldodeca-2,6,10-trienoxy]oxane has a molecular weight of 324.48 g/mol, XLogP of 5.90, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,6Z)-7-(fluoromethyl)-3,11-dimethyldodeca-2,6,10-trienoxy]oxane is sourced from PubChem (CID 25227676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).