tert-butyl-dimethyl-[[(1R,2S,9R,10S,11R,14S)-15-tetracyclo[8.4.1.02,9.011,14]pentadecanyl]oxy]silane

C21H38OSi — CID 162408684

IUPACtert-butyl-dimethyl-[[(1R,2S,9R,10S,11R,14S)-15-tetracyclo[8.4.1.02,9.011,14]pentadecanyl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)OC1[C@H]2[C@@H]3CCCCCC[C@@H]3[C@@H]1[C@H]1CC[C@H]12
InChIInChI=1S/C21H38OSi/c1-21(2,3)23(4,5)22-20-18-14-10-8-6-7-9-11-15(14)19(20)17-13-12-16(17)18/h14-20H,6-13H2,1-5H3/t14-,15+,16-,17+,18+,19-,20?
InChIKeyMATZNGCIZCNXOP-LLVNSLAQSA-N
MW334.62 g/mol
LogP6.25
Rot. Bonds2

About tert-butyl-dimethyl-[[(1R,2S,9R,10S,11R,14S)-15-tetracyclo[8.4.1.02,9.011,14]pentadecanyl]oxy]silane

tert-butyl-dimethyl-[[(1R,2S,9R,10S,11R,14S)-15-tetracyclo[8.4.1.02,9.011,14]pentadecanyl]oxy]silane (PubChem CID 162408684) has the molecular formula C21H38OSi and a molecular weight of 334.62 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1R,2S,9R,10S,11R,14S)-15-tetracyclo[8.4.1.02,9.011,14]pentadecanyl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1R,2S,9R,10S,11R,14S)-15-tetracyclo[8.4.1.02,9.011,14]pentadecanyl]oxy]silane
PubChem CID162408684
Molecular FormulaC21H38OSi
Molecular Weight334.62 g/mol
Exact Mass334.27
IUPAC Nametert-butyl-dimethyl-[[(1R,2S,9R,10S,11R,14S)-15-tetracyclo[8.4.1.02,9.011,14]pentadecanyl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)OC1[C@H]2[C@@H]3CCCCCC[C@@H]3[C@@H]1[C@H]1CC[C@H]12
InChIInChI=1S/C21H38OSi/c1-21(2,3)23(4,5)22-20-18-14-10-8-6-7-9-11-15(14)19(20)17-13-12-16(17)18/h14-20H,6-13H2,1-5H3/t14-,15+,16-,17+,18+,19-,20?
InChIKeyMATZNGCIZCNXOP-LLVNSLAQSA-N
XLogP6.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.62
LogP ≤ 56.25
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

tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609
(1S,2S,3R,4S,5R,6R)-10-[tert-butyl(dimethyl)silyl]oxy-11-propan-2-ylidenetricyclo[4.3.1.12,5]undecane-3,4-diol
CID 11046408
tert-butyl-[(5Z)-cycloundec-5-en-1-yl]oxy-dimethylsilane
CID 22177390
tert-butyl-[(2Z)-cyclooct-2-en-1-yl]oxy-dimethylsilane
CID 12568500
tert-butyl-cycloundec-4-en-1-yloxy-dimethylsilane
CID 68818664
tert-butyl-cyclodec-2-en-1-yloxy-dimethylsilane
CID 68820963
6-[tert-butyl(dimethyl)silyl]oxycyclodecan-1-ol
CID 11778782
7-bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane
CID 15418774
2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 14396580
2-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexan-1-amine
CID 67291290
(3S,4S,10R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methyloxecan-2-ol
CID 11384956
tert-butyl-dimethyl-(3-methylcyclohexyl)oxysilane
CID 14087160

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1R,2S,9R,10S,11R,14S)-15-tetracyclo[8.4.1.02,9.011,14]pentadecanyl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1R,2S,9R,10S,11R,14S)-15-tetracyclo[8.4.1.02,9.011,14]pentadecanyl]oxy]silane (CID 162408684) is tert-butyl-dimethyl-[[(1R,2S,9R,10S,11R,14S)-15-tetracyclo[8.4.1.02,9.011,14]pentadecanyl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1R,2S,9R,10S,11R,14S)-15-tetracyclo[8.4.1.02,9.011,14]pentadecanyl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1R,2S,9R,10S,11R,14S)-15-tetracyclo[8.4.1.02,9.011,14]pentadecanyl]oxy]silane is CC(C)(C)[Si](C)(C)OC1[C@H]2[C@@H]3CCCCCC[C@@H]3[C@@H]1[C@H]1CC[C@H]12.
What is the InChIKey of tert-butyl-dimethyl-[[(1R,2S,9R,10S,11R,14S)-15-tetracyclo[8.4.1.02,9.011,14]pentadecanyl]oxy]silane?
The InChIKey is MATZNGCIZCNXOP-LLVNSLAQSA-N. The full InChI is InChI=1S/C21H38OSi/c1-21(2,3)23(4,5)22-20-18-14-10-8-6-7-9-11-15(14)19(20)17-13-12-16(17)18/h14-20H,6-13H2,1-5H3/t14-,15+,16-,17+,18+,19-,20?.
What are the key properties of tert-butyl-dimethyl-[[(1R,2S,9R,10S,11R,14S)-15-tetracyclo[8.4.1.02,9.011,14]pentadecanyl]oxy]silane?
tert-butyl-dimethyl-[[(1R,2S,9R,10S,11R,14S)-15-tetracyclo[8.4.1.02,9.011,14]pentadecanyl]oxy]silane has a molecular weight of 334.62 g/mol, XLogP of 6.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1R,2S,9R,10S,11R,14S)-15-tetracyclo[8.4.1.02,9.011,14]pentadecanyl]oxy]silane is sourced from PubChem (CID 162408684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).