[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane

C12H17F7OSi — CID 14914237

IUPAC[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1=C(C(F)(C(F)(F)F)C(F)(F)F)CCCC1
InChIInChI=1S/C12H17F7OSi/c1-21(2,3)20-9-7-5-4-6-8(9)10(13,11(14,15)16)12(17,18)19/h4-7H2,1-3H3
InChIKeyAOQYMYSWAQYOTL-UHFFFAOYSA-N
MW338.34 g/mol
LogP5.50
Rot. Bonds3

About [2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane

[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane (PubChem CID 14914237) has the molecular formula C12H17F7OSi and a molecular weight of 338.34 g/mol. Its IUPAC name is [2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane
PubChem CID14914237
Molecular FormulaC12H17F7OSi
Molecular Weight338.34 g/mol
Exact Mass338.09
IUPAC Name[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1=C(C(F)(C(F)(F)F)C(F)(F)F)CCCC1
InChIInChI=1S/C12H17F7OSi/c1-21(2,3)20-9-7-5-4-6-8(9)10(13,11(14,15)16)12(17,18)19/h4-7H2,1-3H3
InChIKeyAOQYMYSWAQYOTL-UHFFFAOYSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.34
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Silane, [(2,6-dimethyl-1-cyclohexen-1-yl)oxy]trimethyl-
CID 11367631
1-(tert-Butyldimethylsilyloxy)-2,2-difluoro-2,3a,4,5,6,7-hexahydro-3H-indene
CID 122389929
Tert-butyl-[(3,3-difluoro-2,3a,4,5,6,7-hexahydroinden-1-yl)oxy]-dimethylsilane
CID 134852939
[(6S)-2,6-dimethylcyclohexen-1-yl]oxy-trimethylsilane
CID 11310139
Trimethyl-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane
CID 14914234
Trimethyl-[2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane
CID 14914235
[2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane
CID 14914242
[(Z)-5-ethyl-6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-3-en-4-yl]oxy-trimethylsilane
CID 14914243
(2-Fluoro-4-hex-1-en-2-ylcyclohexen-1-yl)oxy-trimethylsilane
CID 123304026
[(6R)-2,6-dimethylcyclohexen-1-yl]oxy-trimethylsilane
CID 10921518
Tri(propan-2-yl)-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane
CID 14914239
Tri(propan-2-yl)-[2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane
CID 14914240

Frequently Asked Questions

What is the IUPAC name of [2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane?
The IUPAC name of [2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane (CID 14914237) is [2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane?
The canonical SMILES for [2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane is C[Si](C)(C)OC1=C(C(F)(C(F)(F)F)C(F)(F)F)CCCC1.
What is the InChIKey of [2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane?
The InChIKey is AOQYMYSWAQYOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F7OSi/c1-21(2,3)20-9-7-5-4-6-8(9)10(13,11(14,15)16)12(17,18)19/h4-7H2,1-3H3.
What are the key properties of [2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane?
[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane has a molecular weight of 338.34 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 14914237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).