2-ethoxy-6,10,14-trimethyl-2-(2,2,2-trifluoroethoxy)pentadec-5-ene

C22H41F3O2 — CID 162292188

IUPAC2-ethoxy-6,10,14-trimethyl-2-(2,2,2-trifluoroethoxy)pentadec-5-ene
SMILESCCOC(C)(CCC=C(C)CCCC(C)CCCC(C)C)OCC(F)(F)F
InChIInChI=1S/C22H41F3O2/c1-7-26-21(6,27-17-22(23,24)25)16-10-15-20(5)14-9-13-19(4)12-8-11-18(2)3/h15,18-19H,7-14,16-17H2,1-6H3
InChIKeyDOEOSJNQQBOTTC-UHFFFAOYSA-N
MW394.56 g/mol
LogP7.68
Rot. Bonds15

About 2-ethoxy-6,10,14-trimethyl-2-(2,2,2-trifluoroethoxy)pentadec-5-ene

2-ethoxy-6,10,14-trimethyl-2-(2,2,2-trifluoroethoxy)pentadec-5-ene (PubChem CID 162292188) has the molecular formula C22H41F3O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 2-ethoxy-6,10,14-trimethyl-2-(2,2,2-trifluoroethoxy)pentadec-5-ene.

Molecular Properties

Compound Name2-ethoxy-6,10,14-trimethyl-2-(2,2,2-trifluoroethoxy)pentadec-5-ene
PubChem CID162292188
Molecular FormulaC22H41F3O2
Molecular Weight394.56 g/mol
Exact Mass394.31
IUPAC Name2-ethoxy-6,10,14-trimethyl-2-(2,2,2-trifluoroethoxy)pentadec-5-ene
SMILESCCOC(C)(CCC=C(C)CCCC(C)CCCC(C)C)OCC(F)(F)F
InChIInChI=1S/C22H41F3O2/c1-7-26-21(6,27-17-22(23,24)25)16-10-15-20(5)14-9-13-19(4)12-8-11-18(2)3/h15,18-19H,7-14,16-17H2,1-6H3
InChIKeyDOEOSJNQQBOTTC-UHFFFAOYSA-N
XLogP7.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2-diethoxy-6,10,14-trimethylpentadec-5-ene
CID 150121386
(E)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undec-5-ene
CID 140695976
(5Z,9Z)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadeca-5,9-diene
CID 90238479
6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadeca-5,9-diene
CID 140695963
(5E,9E)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadeca-5,9-diene
CID 90238470
(E)-2,2-dimethoxy-6,10-dimethylundec-5-ene
CID 23352870
(6E)-3,7,11,15-tetramethylhexadeca-1,6-dien-3-ol
CID 15602246
2-[[2,2-bis(hydroxymethyl)-3-[(E)-5,9,13,17-tetramethyloctadec-4-enoxy]propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 88939217
3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30-octaen-1-ol
CID 162895181
2-(hydroxymethyl)-2-(5,9,13-trimethyltetradec-4-enoxymethyl)propane-1,3-diol
CID 75995745
(E)-2,2,5,9,13-pentamethyltetradec-4-ene
CID 58883085
2,6,10-trimethyl-14,14-bis(4-methylpentoxy)pentadeca-2,6,10-triene
CID 140780753

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6,10,14-trimethyl-2-(2,2,2-trifluoroethoxy)pentadec-5-ene?
The IUPAC name of 2-ethoxy-6,10,14-trimethyl-2-(2,2,2-trifluoroethoxy)pentadec-5-ene (CID 162292188) is 2-ethoxy-6,10,14-trimethyl-2-(2,2,2-trifluoroethoxy)pentadec-5-ene.
What is the SMILES notation for 2-ethoxy-6,10,14-trimethyl-2-(2,2,2-trifluoroethoxy)pentadec-5-ene?
The canonical SMILES for 2-ethoxy-6,10,14-trimethyl-2-(2,2,2-trifluoroethoxy)pentadec-5-ene is CCOC(C)(CCC=C(C)CCCC(C)CCCC(C)C)OCC(F)(F)F.
What is the InChIKey of 2-ethoxy-6,10,14-trimethyl-2-(2,2,2-trifluoroethoxy)pentadec-5-ene?
The InChIKey is DOEOSJNQQBOTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41F3O2/c1-7-26-21(6,27-17-22(23,24)25)16-10-15-20(5)14-9-13-19(4)12-8-11-18(2)3/h15,18-19H,7-14,16-17H2,1-6H3.
What are the key properties of 2-ethoxy-6,10,14-trimethyl-2-(2,2,2-trifluoroethoxy)pentadec-5-ene?
2-ethoxy-6,10,14-trimethyl-2-(2,2,2-trifluoroethoxy)pentadec-5-ene has a molecular weight of 394.56 g/mol, XLogP of 7.68, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6,10,14-trimethyl-2-(2,2,2-trifluoroethoxy)pentadec-5-ene is sourced from PubChem (CID 162292188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).