tert-butyl-[[(1R,5S,13S)-3,3-dimethyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-6,8,11-trien-8-yl]oxy]-dimethylsilane

C19H30O3Si — CID 11461785

IUPACtert-butyl-[[(1R,5S,13S)-3,3-dimethyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-6,8,11-trien-8-yl]oxy]-dimethylsilane
SMILESCC1(C)O[C@H]2C=CC(O[Si](C)(C)C(C)(C)C)=C3CC=C[C@@H](O1)[C@H]32
InChIInChI=1S/C19H30O3Si/c1-18(2,3)23(6,7)22-14-11-12-16-17-13(14)9-8-10-15(17)20-19(4,5)21-16/h8,10-12,15-17H,9H2,1-7H3/t15-,16+,17+/m1/s1
InChIKeyQMGFOUPYLCEHJL-IKGGRYGDSA-N
MW334.53 g/mol
LogP4.93
Rot. Bonds2

About tert-butyl-[[(1R,5S,13S)-3,3-dimethyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-6,8,11-trien-8-yl]oxy]-dimethylsilane

tert-butyl-[[(1R,5S,13S)-3,3-dimethyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-6,8,11-trien-8-yl]oxy]-dimethylsilane (PubChem CID 11461785) has the molecular formula C19H30O3Si and a molecular weight of 334.53 g/mol. Its IUPAC name is tert-butyl-[[(1R,5S,13S)-3,3-dimethyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-6,8,11-trien-8-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,5S,13S)-3,3-dimethyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-6,8,11-trien-8-yl]oxy]-dimethylsilane
PubChem CID11461785
Molecular FormulaC19H30O3Si
Molecular Weight334.53 g/mol
Exact Mass334.20
IUPAC Nametert-butyl-[[(1R,5S,13S)-3,3-dimethyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-6,8,11-trien-8-yl]oxy]-dimethylsilane
SMILESCC1(C)O[C@H]2C=CC(O[Si](C)(C)C(C)(C)C)=C3CC=C[C@@H](O1)[C@H]32
InChIInChI=1S/C19H30O3Si/c1-18(2,3)23(6,7)22-14-11-12-16-17-13(14)9-8-10-15(17)20-19(4,5)21-16/h8,10-12,15-17H,9H2,1-7H3/t15-,16+,17+/m1/s1
InChIKeyQMGFOUPYLCEHJL-IKGGRYGDSA-N
XLogP4.93
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 54.93
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

(4R,4aS,8aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4a,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-6-one
CID 46914553
tert-butyl-[3,3-dibromo-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
CID 67931117
(1R,5S,14S)-11-[tert-butyl(dimethyl)silyl]oxy-5,16,16-trimethyl-6,15,17-trioxabicyclo[12.3.0]heptadec-2-en-8-yn-7-one
CID 91097886
(3aS,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-7,7a-dihydro-3aH-1,3-benzodioxol-4-one
CID 10913556
(3aS,4R,6aS)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-ol
CID 10710402
(3aS,5R,9S,10E,11aS)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,5-trimethyl-3a,4,5,8,9,11a-hexahydro-[1,3]dioxolo[4,5-d]oxecin-7-one
CID 71474776
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-2,5-dihydropyridin-6-one
CID 11357288
(4R,5R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-6-en-8-one
CID 101333069
(3aR,4S,6R,7Z,9aS)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,2-dimethyl-4,5,6,9a-tetrahydro-3aH-cycloocta[d][1,3]dioxol-9-one
CID 139262763
(4aR,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-propan-2-ylidene-3,4,8,8a-tetrahydro-2H-naphthalen-1-one
CID 134978490
(1R,2R,7S,12S,16S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,14,15-tetramethyl-13-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9,14-triene-3,6-dione
CID 11069984
dipropan-2-yl (1R,5S,6R,7R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-8-oxabicyclo[3.2.1]oct-2-ene-6,7-dicarboxylate
CID 102301844

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,5S,13S)-3,3-dimethyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-6,8,11-trien-8-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,5S,13S)-3,3-dimethyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-6,8,11-trien-8-yl]oxy]-dimethylsilane (CID 11461785) is tert-butyl-[[(1R,5S,13S)-3,3-dimethyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-6,8,11-trien-8-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,5S,13S)-3,3-dimethyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-6,8,11-trien-8-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,5S,13S)-3,3-dimethyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-6,8,11-trien-8-yl]oxy]-dimethylsilane is CC1(C)O[C@H]2C=CC(O[Si](C)(C)C(C)(C)C)=C3CC=C[C@@H](O1)[C@H]32.
What is the InChIKey of tert-butyl-[[(1R,5S,13S)-3,3-dimethyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-6,8,11-trien-8-yl]oxy]-dimethylsilane?
The InChIKey is QMGFOUPYLCEHJL-IKGGRYGDSA-N. The full InChI is InChI=1S/C19H30O3Si/c1-18(2,3)23(6,7)22-14-11-12-16-17-13(14)9-8-10-15(17)20-19(4,5)21-16/h8,10-12,15-17H,9H2,1-7H3/t15-,16+,17+/m1/s1.
What are the key properties of tert-butyl-[[(1R,5S,13S)-3,3-dimethyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-6,8,11-trien-8-yl]oxy]-dimethylsilane?
tert-butyl-[[(1R,5S,13S)-3,3-dimethyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-6,8,11-trien-8-yl]oxy]-dimethylsilane has a molecular weight of 334.53 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,5S,13S)-3,3-dimethyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-6,8,11-trien-8-yl]oxy]-dimethylsilane is sourced from PubChem (CID 11461785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).