trimethyl-[[4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl]oxy]silane

C15H21F3OSi — CID 74020838

IUPACtrimethyl-[[4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl]oxy]silane
SMILESC[Si](C)(C)OC12C3C=CC1(C(F)(F)F)C2C1CCCC13
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
InChIKeyYTUGCEFMSRTPBF-UHFFFAOYSA-N
MW302.41 g/mol
LogP4.37
Rot. Bonds2

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

trimethyl-[[4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl]oxy]silane (PubChem CID 74020838) has the molecular formula C15H21F3OSi and a molecular weight of 302.41 g/mol. Its IUPAC name is trimethyl-[[4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl]oxy]silane.

Molecular Properties

Compound Nametrimethyl-[[4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl]oxy]silane
PubChem CID74020838
Molecular FormulaC15H21F3OSi
Molecular Weight302.41 g/mol
Exact Mass302.13
IUPAC Nametrimethyl-[[4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl]oxy]silane
SMILESC[Si](C)(C)OC12C3C=CC1(C(F)(F)F)C2C1CCCC13
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
InChIKeyYTUGCEFMSRTPBF-UHFFFAOYSA-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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Related Compounds

trimethyl-[[(1R,2S,3R,4S,8S)-4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl]oxy]silane
CID 10518480
trimethyl-[[7-(trifluoromethyl)-7-bicyclo[2.2.1]hept-2-enyl]oxy]silane
CID 85107343
trimethyl(3-tetracyclo[6.3.0.02,4.03,7]undec-5-enylmethyl)silane
CID 177484089
4-(trifluoromethyl)-4-trimethylsilyloxycyclohexa-2,5-dien-1-one
CID 23237044
1,1,1-trifluoro-2-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol
CID 58330634
1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol
CID 59850824
1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)propan-2-ol
CID 134224504
(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane
CID 53307531
ethane;tricyclo[5.3.0.02,6]decane
CID 158606562
4-tert-butyl-1-trimethylsilyloxycycloheptane-1-carbonitrile
CID 65094927
dicyclohexyl-[dimethyl(trifluoromethyl)silyl]oxy-methylsilane
CID 18443985
benzene;bis(2,2-dimethylpropane);ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);tricyclo[5.2.1.02,6]decane
CID 158467190

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl]oxy]silane?
The IUPAC name of trimethyl-[[4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl]oxy]silane (CID 74020838) is trimethyl-[[4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl]oxy]silane.
What is the SMILES notation for trimethyl-[[4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl]oxy]silane?
The canonical SMILES for trimethyl-[[4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl]oxy]silane is C[Si](C)(C)OC12C3C=CC1(C(F)(F)F)C2C1CCCC13.
What is the InChIKey of trimethyl-[[4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl]oxy]silane?
The InChIKey is YTUGCEFMSRTPBF-UHFFFAOYSA-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.
What are the key properties of trimethyl-[[4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl]oxy]silane?
trimethyl-[[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-[[4-(trifluoromethyl)-3-tetracyclo[6.3.0.02,4.03,7]undec-5-enyl]oxy]silane is sourced from PubChem (CID 74020838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).