tert-butyl-dimethyl-[(1R,6R)-6-prop-2-enylcyclohex-3-en-1-yl]oxysilane

C15H28OSi — CID 135060151

IUPACtert-butyl-dimethyl-[(1R,6R)-6-prop-2-enylcyclohex-3-en-1-yl]oxysilane
SMILESC=CC[C@@H]1CC=CC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28OSi/c1-7-10-13-11-8-9-12-14(13)16-17(5,6)15(2,3)4/h7-9,13-14H,1,10-12H2,2-6H3/t13-,14-/m1/s1
InChIKeyYYRAUTJUUQIFRX-ZIAGYGMSSA-N
MW252.47 g/mol
LogP4.92
Rot. Bonds4

About tert-butyl-dimethyl-[(1R,6R)-6-prop-2-enylcyclohex-3-en-1-yl]oxysilane

tert-butyl-dimethyl-[(1R,6R)-6-prop-2-enylcyclohex-3-en-1-yl]oxysilane (PubChem CID 135060151) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R,6R)-6-prop-2-enylcyclohex-3-en-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1R,6R)-6-prop-2-enylcyclohex-3-en-1-yl]oxysilane
PubChem CID135060151
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Nametert-butyl-dimethyl-[(1R,6R)-6-prop-2-enylcyclohex-3-en-1-yl]oxysilane
SMILESC=CC[C@@H]1CC=CC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28OSi/c1-7-10-13-11-8-9-12-14(13)16-17(5,6)15(2,3)4/h7-9,13-14H,1,10-12H2,2-6H3/t13-,14-/m1/s1
InChIKeyYYRAUTJUUQIFRX-ZIAGYGMSSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.92
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

[2-(3-Cyclohexenyl)ethyl]triethoxysilane
CID 11300254
7-Bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane
CID 15418774
tert-butyl-dimethyl-[(1S,6S)-6-prop-2-enylcyclohex-3-en-1-yl]oxysilane
CID 11543369
Tert-butyl-(1-cyclopent-3-en-1-ylbut-3-enoxy)-dimethylsilane
CID 11666003
tert-butyl-dimethyl-[(1S,6R)-6-prop-2-enylcyclohex-3-en-1-yl]oxysilane
CID 134979966
1,2,3,6-Tetrahydrobenzylalcohol, tert-butyldimethylsilyl ether
CID 11229886
tert-butyl-dimethyl-[(1S)-1-prop-2-enylcyclohex-3-en-1-yl]oxysilane
CID 11322735
(1-But-3-enylcyclopent-3-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 11470770
(1S,5R,6S)-5-methyl-6-trimethylsilylcyclohex-3-en-1-ol
CID 14984254
tert-butyl-dimethyl-[(1R,2S)-2-(2-trimethylsilylethynyl)cyclohex-3-en-1-yl]oxysilane
CID 101546873
t-Butyldimethyl{[(1r,2r,6r)-2-methyl-6-vinylcyclohex-3-en-1-yl]methoxy}silane
CID 129758377
(1S,2S,6S)-2-methyl-6-trimethylsilylcyclohex-3-en-1-ol
CID 130944406

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R,6R)-6-prop-2-enylcyclohex-3-en-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1R,6R)-6-prop-2-enylcyclohex-3-en-1-yl]oxysilane (CID 135060151) is tert-butyl-dimethyl-[(1R,6R)-6-prop-2-enylcyclohex-3-en-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1R,6R)-6-prop-2-enylcyclohex-3-en-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1R,6R)-6-prop-2-enylcyclohex-3-en-1-yl]oxysilane is C=CC[C@@H]1CC=CC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(1R,6R)-6-prop-2-enylcyclohex-3-en-1-yl]oxysilane?
The InChIKey is YYRAUTJUUQIFRX-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H28OSi/c1-7-10-13-11-8-9-12-14(13)16-17(5,6)15(2,3)4/h7-9,13-14H,1,10-12H2,2-6H3/t13-,14-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(1R,6R)-6-prop-2-enylcyclohex-3-en-1-yl]oxysilane?
tert-butyl-dimethyl-[(1R,6R)-6-prop-2-enylcyclohex-3-en-1-yl]oxysilane has a molecular weight of 252.47 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1R,6R)-6-prop-2-enylcyclohex-3-en-1-yl]oxysilane is sourced from PubChem (CID 135060151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).