9-ethyl-1,5-dimethyl-10-(trifluoromethyl)-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadec-9-ene

C17H23F3O3 — CID 91115827

IUPAC9-ethyl-1,5-dimethyl-10-(trifluoromethyl)-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadec-9-ene
SMILESCCC1=C(C(F)(F)F)OC2OC3(C)CCC4C(C)CCC1C24O3
InChIInChI=1S/C17H23F3O3/c1-4-10-12-6-5-9(2)11-7-8-15(3)22-14(16(11,12)23-15)21-13(10)17(18,19)20/h9,11-12,14H,4-8H2,1-3H3
InChIKeyFZOIOQRTZIYAAQ-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.53
Rot. Bonds1

About 9-ethyl-1,5-dimethyl-10-(trifluoromethyl)-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadec-9-ene

9-ethyl-1,5-dimethyl-10-(trifluoromethyl)-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadec-9-ene (PubChem CID 91115827) has the molecular formula C17H23F3O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 9-ethyl-1,5-dimethyl-10-(trifluoromethyl)-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadec-9-ene.

Molecular Properties

Compound Name9-ethyl-1,5-dimethyl-10-(trifluoromethyl)-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadec-9-ene
PubChem CID91115827
Molecular FormulaC17H23F3O3
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC Name9-ethyl-1,5-dimethyl-10-(trifluoromethyl)-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadec-9-ene
SMILESCCC1=C(C(F)(F)F)OC2OC3(C)CCC4C(C)CCC1C24O3
InChIInChI=1S/C17H23F3O3/c1-4-10-12-6-5-9(2)11-7-8-15(3)22-14(16(11,12)23-15)21-13(10)17(18,19)20/h9,11-12,14H,4-8H2,1-3H3
InChIKeyFZOIOQRTZIYAAQ-UHFFFAOYSA-N
XLogP4.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-ethyl-1,5-dimethyl-10-(trifluoromethyl)-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadec-9-ene with MolForge

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Related Compounds

[(1R,5R,8S,12R,13R)-1,5-dimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-en-9-yl]methanamine
CID 146927018
(1S,5R,8S,12R,13R)-9-[[(1R,5R,8S,12R,13R)-1,5-dimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-en-9-yl]methylsulfinylmethyl]-1,5-dimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-ene
CID 59539365
(1R,5R,8S,12R,13R)-9-[[(1R,5R,8S,12R,13R)-1,5-dimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-en-9-yl]methylsulfonylmethyl]-1,5-dimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-ene
CID 158107183
N,N-bis[[(1R,4S,5R,8S,12R,13R)-1,5-dimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-en-9-yl]methyl]prop-2-yn-1-amine
CID 158424319
N-[[(1S,5R,8S,12R,13R)-1,5-dimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-en-9-yl]methyl]-N'-[[(1S,5R,8S,13R)-1,5-dimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-en-9-yl]methyl]-N,N'-dimethylpropane-1,3-diamine
CID 89166946
bis[[(5R,8S,12R,13R)-1,5-dimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-en-9-yl]methyl] pentanedioate
CID 140555763
2-[4-[[1,5-dimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-en-9-yl]methyl]piperazin-1-yl]ethanol
CID 74968215
2-[[(1S,5R,8S,12R,13R)-1,5-dimethyl-10-(trifluoromethyl)-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadec-9-en-9-yl]methyl-[4-[[(1S,5R,8S,9R,10S,12R,13R)-1,5,9,10-tetramethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butyl]amino]acetaldehyde
CID 58318330
2-N,5-N-bis[[(4S,5R,8S,12R,13R)-1,5-dimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-en-9-yl]methyl]thiophene-2,5-dicarboxamide
CID 140555749
2-[[(1R,4S,5R,8S,12R,13R)-1,5-dimethyl-10-(trifluoromethyl)-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadec-9-en-9-yl]methyl-[4-[[(1S,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butyl]amino]acetic acid
CID 88937136
bis[[(1S,4S,5R,8S,12R,13R)-1,5-dimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-en-9-yl]methyl] pyridine-2,6-dicarboxylate
CID 59539368
[(1S,5R,8S,12R,13R)-1,5-dimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-en-9-yl]methyl [(1S,5R,8S,13R)-1,5-dimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-en-9-yl]methyl phenyl phosphate
CID 89166749

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-1,5-dimethyl-10-(trifluoromethyl)-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadec-9-ene?
The IUPAC name of 9-ethyl-1,5-dimethyl-10-(trifluoromethyl)-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadec-9-ene (CID 91115827) is 9-ethyl-1,5-dimethyl-10-(trifluoromethyl)-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadec-9-ene.
What is the SMILES notation for 9-ethyl-1,5-dimethyl-10-(trifluoromethyl)-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadec-9-ene?
The canonical SMILES for 9-ethyl-1,5-dimethyl-10-(trifluoromethyl)-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadec-9-ene is CCC1=C(C(F)(F)F)OC2OC3(C)CCC4C(C)CCC1C24O3.
What is the InChIKey of 9-ethyl-1,5-dimethyl-10-(trifluoromethyl)-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadec-9-ene?
The InChIKey is FZOIOQRTZIYAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3O3/c1-4-10-12-6-5-9(2)11-7-8-15(3)22-14(16(11,12)23-15)21-13(10)17(18,19)20/h9,11-12,14H,4-8H2,1-3H3.
What are the key properties of 9-ethyl-1,5-dimethyl-10-(trifluoromethyl)-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadec-9-ene?
9-ethyl-1,5-dimethyl-10-(trifluoromethyl)-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadec-9-ene has a molecular weight of 332.36 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-1,5-dimethyl-10-(trifluoromethyl)-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadec-9-ene is sourced from PubChem (CID 91115827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).