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

C13H26OSi — CID 10823148

IUPACtert-butyl-dimethyl-[(1R,2R)-2-methylcyclohex-3-en-1-yl]oxysilane
SMILESC[C@@H]1C=CCC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26OSi/c1-11-9-7-8-10-12(11)14-15(5,6)13(2,3)4/h7,9,11-12H,8,10H2,1-6H3/t11-,12-/m1/s1
InChIKeyJDIXBJJRCUAQJS-VXGBXAGGSA-N
MW226.44 g/mol
LogP4.36
Rot. Bonds2

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

tert-butyl-dimethyl-[(1R,2R)-2-methylcyclohex-3-en-1-yl]oxysilane (PubChem CID 10823148) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R,2R)-2-methylcyclohex-3-en-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1R,2R)-2-methylcyclohex-3-en-1-yl]oxysilane
PubChem CID10823148
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Nametert-butyl-dimethyl-[(1R,2R)-2-methylcyclohex-3-en-1-yl]oxysilane
SMILESC[C@@H]1C=CCC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26OSi/c1-11-9-7-8-10-12(11)14-15(5,6)13(2,3)4/h7,9,11-12H,8,10H2,1-6H3/t11-,12-/m1/s1
InChIKeyJDIXBJJRCUAQJS-VXGBXAGGSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.36
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
tert-Butyl(cyclohex-2-enyloxy)dimethylsilane
CID 11085130
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
(7-Fluoro-6-methylhept-1-en-4-yl)oxy-trimethylsilane
CID 140333762
1,2,3,6-Tetrahydrobenzylalcohol, tert-butyldimethylsilyl ether
CID 11229886
tert-butyl-[(E,3S,4R)-6-iodo-4-methylhept-5-en-3-yl]oxy-dimethylsilane
CID 11303134
tert-butyl-dimethyl-[(1S)-1-prop-2-enylcyclohex-3-en-1-yl]oxysilane
CID 11322735
tert-butyl-dimethyl-[(2S,4R)-4-methylhex-5-en-2-yl]oxysilane
CID 11817044
tert-butyl-[(3R,4S,5Z)-2,4-dimethylocta-5,7-dien-3-yl]oxy-dimethylsilane
CID 12148323
tert-butyl-[(3R,4S,5E)-2,4-dimethylocta-5,7-dien-3-yl]oxy-dimethylsilane
CID 12148324

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R,2R)-2-methylcyclohex-3-en-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1R,2R)-2-methylcyclohex-3-en-1-yl]oxysilane (CID 10823148) is tert-butyl-dimethyl-[(1R,2R)-2-methylcyclohex-3-en-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1R,2R)-2-methylcyclohex-3-en-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1R,2R)-2-methylcyclohex-3-en-1-yl]oxysilane is C[C@@H]1C=CCC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(1R,2R)-2-methylcyclohex-3-en-1-yl]oxysilane?
The InChIKey is JDIXBJJRCUAQJS-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H26OSi/c1-11-9-7-8-10-12(11)14-15(5,6)13(2,3)4/h7,9,11-12H,8,10H2,1-6H3/t11-,12-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(1R,2R)-2-methylcyclohex-3-en-1-yl]oxysilane?
tert-butyl-dimethyl-[(1R,2R)-2-methylcyclohex-3-en-1-yl]oxysilane has a molecular weight of 226.44 g/mol, XLogP of 4.36, 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,2R)-2-methylcyclohex-3-en-1-yl]oxysilane is sourced from PubChem (CID 10823148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).