trimethyl-[[(1R,2S,3R,4S,8S)-4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl]oxy]silane

C15H21F3OSi — CID 10518480

IUPACtrimethyl-[[(1R,2S,3R,4S,8S)-4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl]oxy]silane
SMILESC[Si](C)(C)O[C@@]12C3C=C[C@]1(C(F)(F)F)[C@@H]2[C@@H]1CCC[C@H]31
InChIInChI=1S/C15H21F3OSi/c1-20(2,3)19-14-11-7-8-13(14,15(16,17)18)12(14)10-6-4-5-9(10)11/h7-12H,4-6H2,1-3H3/t9-,10+,11?,12-,13-,14+/m0/s1
InChIKeyYTUGCEFMSRTPBF-RGBPBDRFSA-N
MW302.41 g/mol
LogP4.37
Rot. Bonds2

About trimethyl-[[(1R,2S,3R,4S,8S)-4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl]oxy]silane

trimethyl-[[(1R,2S,3R,4S,8S)-4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl]oxy]silane (PubChem CID 10518480) has the molecular formula C15H21F3OSi and a molecular weight of 302.41 g/mol. Its IUPAC name is trimethyl-[[(1R,2S,3R,4S,8S)-4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl]oxy]silane.

Molecular Properties

Compound Nametrimethyl-[[(1R,2S,3R,4S,8S)-4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl]oxy]silane
PubChem CID10518480
Molecular FormulaC15H21F3OSi
Molecular Weight302.41 g/mol
Exact Mass302.13
IUPAC Nametrimethyl-[[(1R,2S,3R,4S,8S)-4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl]oxy]silane
SMILESC[Si](C)(C)O[C@@]12C3C=C[C@]1(C(F)(F)F)[C@@H]2[C@@H]1CCC[C@H]31
InChIInChI=1S/C15H21F3OSi/c1-20(2,3)19-14-11-7-8-13(14,15(16,17)18)12(14)10-6-4-5-9(10)11/h7-12H,4-6H2,1-3H3/t9-,10+,11?,12-,13-,14+/m0/s1
InChIKeyYTUGCEFMSRTPBF-RGBPBDRFSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(1R,2S,3R,4S,8S)-4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl]oxy]silane?
The IUPAC name of trimethyl-[[(1R,2S,3R,4S,8S)-4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl]oxy]silane (CID 10518480) is trimethyl-[[(1R,2S,3R,4S,8S)-4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl]oxy]silane.
What is the SMILES notation for trimethyl-[[(1R,2S,3R,4S,8S)-4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl]oxy]silane?
The canonical SMILES for trimethyl-[[(1R,2S,3R,4S,8S)-4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl]oxy]silane is C[Si](C)(C)O[C@@]12C3C=C[C@]1(C(F)(F)F)[C@@H]2[C@@H]1CCC[C@H]31.
What is the InChIKey of trimethyl-[[(1R,2S,3R,4S,8S)-4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl]oxy]silane?
The InChIKey is YTUGCEFMSRTPBF-RGBPBDRFSA-N. The full InChI is InChI=1S/C15H21F3OSi/c1-20(2,3)19-14-11-7-8-13(14,15(16,17)18)12(14)10-6-4-5-9(10)11/h7-12H,4-6H2,1-3H3/t9-,10+,11?,12-,13-,14+/m0/s1.
What are the key properties of trimethyl-[[(1R,2S,3R,4S,8S)-4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl]oxy]silane?
trimethyl-[[(1R,2S,3R,4S,8S)-4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl]oxy]silane has a molecular weight of 302.41 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(1R,2S,3R,4S,8S)-4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl]oxy]silane is sourced from PubChem (CID 10518480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).