tert-butyl-[[(4R)-6,8-dimethyl-9-methylidene-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-yl]oxy]-dimethylsilane

C16H28O3Si — CID 101189658

IUPACtert-butyl-[[(4R)-6,8-dimethyl-9-methylidene-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-yl]oxy]-dimethylsilane
SMILESC=C1C2OC3[C@H](O[Si](C)(C)C(C)(C)C)CC1(C)OC23C
InChIInChI=1S/C16H28O3Si/c1-10-12-16(6)13(17-12)11(9-15(10,5)19-16)18-20(7,8)14(2,3)4/h11-13H,1,9H2,2-8H3/t11-,12?,13?,15?,16?/m1/s1
InChIKeyXOMMHMJPQQVROF-ZEGQCKKHSA-N
MW296.48 g/mol
LogP3.65
Rot. Bonds2

About tert-butyl-[[(4R)-6,8-dimethyl-9-methylidene-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-yl]oxy]-dimethylsilane

tert-butyl-[[(4R)-6,8-dimethyl-9-methylidene-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-yl]oxy]-dimethylsilane (PubChem CID 101189658) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is tert-butyl-[[(4R)-6,8-dimethyl-9-methylidene-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(4R)-6,8-dimethyl-9-methylidene-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-yl]oxy]-dimethylsilane
PubChem CID101189658
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Nametert-butyl-[[(4R)-6,8-dimethyl-9-methylidene-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-yl]oxy]-dimethylsilane
SMILESC=C1C2OC3[C@H](O[Si](C)(C)C(C)(C)C)CC1(C)OC23C
InChIInChI=1S/C16H28O3Si/c1-10-12-16(6)13(17-12)11(9-15(10,5)19-16)18-20(7,8)14(2,3)4/h11-13H,1,9H2,2-8H3/t11-,12?,13?,15?,16?/m1/s1
InChIKeyXOMMHMJPQQVROF-ZEGQCKKHSA-N
XLogP3.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(1S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptan-2-one
CID 56946000
(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopentane-1,2-diol
CID 53497048
(1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-methylidenecyclohexane-1,3-diol
CID 89472494
(3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl)oxy-tert-butyl-dimethylsilane
CID 75218881
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
(1R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebicyclo[3.1.0]hexane-1-carbaldehyde
CID 10912025
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
trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(hydroxymethyl)cyclohexane-1,4-diol
CID 11761328
tert-butyl-dimethyl-(4-methylidenespiro[4.4]nonan-1-yl)oxysilane
CID 171844194
tert-butyl-dimethyl-[[(1S,2R,5S)-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]oxy]silane
CID 102406518
(1R,3R,4S,8S,9R,12R,17R)-17-[tert-butyl(dimethyl)silyl]oxy-3,6,6-trimethyl-10-methylidene-5,7-dioxatetracyclo[10.4.1.01,8.04,8]heptadecan-9-ol
CID 99959947
(1'R,5'S,6'S)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxolane-4,3'-7-oxabicyclo[4.1.0]heptane]-2,2'-dione
CID 11278465

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(4R)-6,8-dimethyl-9-methylidene-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(4R)-6,8-dimethyl-9-methylidene-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-yl]oxy]-dimethylsilane (CID 101189658) is tert-butyl-[[(4R)-6,8-dimethyl-9-methylidene-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(4R)-6,8-dimethyl-9-methylidene-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(4R)-6,8-dimethyl-9-methylidene-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-yl]oxy]-dimethylsilane is C=C1C2OC3[C@H](O[Si](C)(C)C(C)(C)C)CC1(C)OC23C.
What is the InChIKey of tert-butyl-[[(4R)-6,8-dimethyl-9-methylidene-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-yl]oxy]-dimethylsilane?
The InChIKey is XOMMHMJPQQVROF-ZEGQCKKHSA-N. The full InChI is InChI=1S/C16H28O3Si/c1-10-12-16(6)13(17-12)11(9-15(10,5)19-16)18-20(7,8)14(2,3)4/h11-13H,1,9H2,2-8H3/t11-,12?,13?,15?,16?/m1/s1.
What are the key properties of tert-butyl-[[(4R)-6,8-dimethyl-9-methylidene-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-yl]oxy]-dimethylsilane?
tert-butyl-[[(4R)-6,8-dimethyl-9-methylidene-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-yl]oxy]-dimethylsilane has a molecular weight of 296.48 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(4R)-6,8-dimethyl-9-methylidene-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-yl]oxy]-dimethylsilane is sourced from PubChem (CID 101189658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).