tert-butyl-[[(1S,3R,8S,10R,13R)-6,6-dimethyl-12-methylidene-2,5,7,11-tetraoxatricyclo[8.4.0.03,8]tetradecan-13-yl]oxy]-dimethylsilane

C19H34O5Si — CID 10904737

IUPACtert-butyl-[[(1S,3R,8S,10R,13R)-6,6-dimethyl-12-methylidene-2,5,7,11-tetraoxatricyclo[8.4.0.03,8]tetradecan-13-yl]oxy]-dimethylsilane
SMILESC=C1O[C@@H]2C[C@@H]3OC(C)(C)OC[C@H]3O[C@H]2C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O5Si/c1-12-13(24-25(7,8)18(2,3)4)9-15-14(21-12)10-16-17(22-15)11-20-19(5,6)23-16/h13-17H,1,9-11H2,2-8H3/t13-,14-,15+,16+,17-/m1/s1
InChIKeyMDQRCDYKEQJIOM-UHDSXZAQSA-N
MW370.56 g/mol
LogP3.99
Rot. Bonds2

About tert-butyl-[[(1S,3R,8S,10R,13R)-6,6-dimethyl-12-methylidene-2,5,7,11-tetraoxatricyclo[8.4.0.03,8]tetradecan-13-yl]oxy]-dimethylsilane

tert-butyl-[[(1S,3R,8S,10R,13R)-6,6-dimethyl-12-methylidene-2,5,7,11-tetraoxatricyclo[8.4.0.03,8]tetradecan-13-yl]oxy]-dimethylsilane (PubChem CID 10904737) has the molecular formula C19H34O5Si and a molecular weight of 370.56 g/mol. Its IUPAC name is tert-butyl-[[(1S,3R,8S,10R,13R)-6,6-dimethyl-12-methylidene-2,5,7,11-tetraoxatricyclo[8.4.0.03,8]tetradecan-13-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S,3R,8S,10R,13R)-6,6-dimethyl-12-methylidene-2,5,7,11-tetraoxatricyclo[8.4.0.03,8]tetradecan-13-yl]oxy]-dimethylsilane
PubChem CID10904737
Molecular FormulaC19H34O5Si
Molecular Weight370.56 g/mol
Exact Mass370.22
IUPAC Nametert-butyl-[[(1S,3R,8S,10R,13R)-6,6-dimethyl-12-methylidene-2,5,7,11-tetraoxatricyclo[8.4.0.03,8]tetradecan-13-yl]oxy]-dimethylsilane
SMILESC=C1O[C@@H]2C[C@@H]3OC(C)(C)OC[C@H]3O[C@H]2C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O5Si/c1-12-13(24-25(7,8)18(2,3)4)9-15-14(21-12)10-16-17(22-15)11-20-19(5,6)23-16/h13-17H,1,9-11H2,2-8H3/t13-,14-,15+,16+,17-/m1/s1
InChIKeyMDQRCDYKEQJIOM-UHDSXZAQSA-N
XLogP3.99
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl-[[(1S,3R,8S,10R,13R)-6,6-dimethyl-12-methylidene-2,5,7,11-tetraoxatricyclo[8.4.0.03,8]tetradecan-13-yl]oxy]-dimethylsilane with MolForge

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Related Compounds

[(1S,3R,8S,10R,12S,13R)-12-[[(4aR,8aS)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]methyl]-6,6-dimethyl-2,5,7,11-tetraoxatricyclo[8.4.0.03,8]tetradecan-13-yl]oxy-tert-butyl-dimethylsilane
CID 11733956
[(2S,4R,4aR,6R,8aR)-6-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-methylidene-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10649437
[(4aR,6S,7R,8aS)-2,2-dimethyl-6-prop-2-enyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane
CID 11393734
tert-butyl-[[(2S,4S,6R,8R,10S)-2-ethenyl-4-methoxy-8-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
CID 11478077

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1S,3R,8S,10R,13R)-6,6-dimethyl-12-methylidene-2,5,7,11-tetraoxatricyclo[8.4.0.03,8]tetradecan-13-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1S,3R,8S,10R,13R)-6,6-dimethyl-12-methylidene-2,5,7,11-tetraoxatricyclo[8.4.0.03,8]tetradecan-13-yl]oxy]-dimethylsilane (CID 10904737) is tert-butyl-[[(1S,3R,8S,10R,13R)-6,6-dimethyl-12-methylidene-2,5,7,11-tetraoxatricyclo[8.4.0.03,8]tetradecan-13-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1S,3R,8S,10R,13R)-6,6-dimethyl-12-methylidene-2,5,7,11-tetraoxatricyclo[8.4.0.03,8]tetradecan-13-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1S,3R,8S,10R,13R)-6,6-dimethyl-12-methylidene-2,5,7,11-tetraoxatricyclo[8.4.0.03,8]tetradecan-13-yl]oxy]-dimethylsilane is C=C1O[C@@H]2C[C@@H]3OC(C)(C)OC[C@H]3O[C@H]2C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(1S,3R,8S,10R,13R)-6,6-dimethyl-12-methylidene-2,5,7,11-tetraoxatricyclo[8.4.0.03,8]tetradecan-13-yl]oxy]-dimethylsilane?
The InChIKey is MDQRCDYKEQJIOM-UHDSXZAQSA-N. The full InChI is InChI=1S/C19H34O5Si/c1-12-13(24-25(7,8)18(2,3)4)9-15-14(21-12)10-16-17(22-15)11-20-19(5,6)23-16/h13-17H,1,9-11H2,2-8H3/t13-,14-,15+,16+,17-/m1/s1.
What are the key properties of tert-butyl-[[(1S,3R,8S,10R,13R)-6,6-dimethyl-12-methylidene-2,5,7,11-tetraoxatricyclo[8.4.0.03,8]tetradecan-13-yl]oxy]-dimethylsilane?
tert-butyl-[[(1S,3R,8S,10R,13R)-6,6-dimethyl-12-methylidene-2,5,7,11-tetraoxatricyclo[8.4.0.03,8]tetradecan-13-yl]oxy]-dimethylsilane has a molecular weight of 370.56 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S,3R,8S,10R,13R)-6,6-dimethyl-12-methylidene-2,5,7,11-tetraoxatricyclo[8.4.0.03,8]tetradecan-13-yl]oxy]-dimethylsilane is sourced from PubChem (CID 10904737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).