trimethyl-[[(1S,2S,6S,7S,10S)-2,4,4,7,10-pentamethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-8-yl]oxy]silane

C16H28O4Si — CID 10990608

IUPACtrimethyl-[[(1S,2S,6S,7S,10S)-2,4,4,7,10-pentamethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-8-yl]oxy]silane
SMILESC[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)O[C@@H]1[C@]1(C)OC(C)(C)O[C@@H]12
InChIInChI=1S/C16H28O4Si/c1-10-9-11(19-21(6,7)8)15(4)13-16(5,12(10)17-15)20-14(2,3)18-13/h9-10,12-13H,1-8H3/t10-,12-,13+,15+,16-/m0/s1
InChIKeyAZHKZJBLWIWZHB-GIRXQMHSSA-N
MW312.48 g/mol
LogP3.44
Rot. Bonds2

About trimethyl-[[(1S,2S,6S,7S,10S)-2,4,4,7,10-pentamethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-8-yl]oxy]silane

trimethyl-[[(1S,2S,6S,7S,10S)-2,4,4,7,10-pentamethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-8-yl]oxy]silane (PubChem CID 10990608) has the molecular formula C16H28O4Si and a molecular weight of 312.48 g/mol. Its IUPAC name is trimethyl-[[(1S,2S,6S,7S,10S)-2,4,4,7,10-pentamethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-8-yl]oxy]silane.

Molecular Properties

Compound Nametrimethyl-[[(1S,2S,6S,7S,10S)-2,4,4,7,10-pentamethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-8-yl]oxy]silane
PubChem CID10990608
Molecular FormulaC16H28O4Si
Molecular Weight312.48 g/mol
Exact Mass312.18
IUPAC Nametrimethyl-[[(1S,2S,6S,7S,10S)-2,4,4,7,10-pentamethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-8-yl]oxy]silane
SMILESC[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)O[C@@H]1[C@]1(C)OC(C)(C)O[C@@H]12
InChIInChI=1S/C16H28O4Si/c1-10-9-11(19-21(6,7)8)15(4)13-16(5,12(10)17-15)20-14(2,3)18-13/h9-10,12-13H,1-8H3/t10-,12-,13+,15+,16-/m0/s1
InChIKeyAZHKZJBLWIWZHB-GIRXQMHSSA-N
XLogP3.44
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trimethyl-[[(1S,2S,6S,7S,10S)-2,4,4,7,10-pentamethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-8-yl]oxy]silane with MolForge

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Related Compounds

[(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-trimethylsilane
CID 10423282
[(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-tri(propan-2-yl)silane
CID 11002735
tert-butyl-[[(1R,2S,6R,7S)-7-methoxy-1,4,4-trimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy]-dimethylsilane
CID 10861214
trimethyl-[[(1S,2S,6S,7S)-2,4,4,7-tetramethyl-3,5,10-trioxatricyclo[5.2.1.02,6]dec-8-en-8-yl]oxy]silane
CID 10946001
tert-butyl-[[(1S,2R,6S,7R)-1-methoxy-4,4,7-trimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy]-dimethylsilane
CID 11046511
trimethyl-[[(1S,5S,6R,7R)-1,5,7-trimethyl-2-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-2-en-6-yl]oxy]silane
CID 11359388
tert-butyl-dimethyl-[[(1'S,5'S,6'R)-spiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-yl]methoxy]silane
CID 11580450
2-[(2R,3aS,8S,9R,9aS)-2-methoxy-2,8-dimethyl-8-(4-methylpent-3-enyl)-3a,5,7,9-tetrahydro-3H-furo[2,3-i][2]benzofuran-9-yl]ethoxy-tert-butyl-dimethylsilane
CID 132594869

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(1S,2S,6S,7S,10S)-2,4,4,7,10-pentamethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-8-yl]oxy]silane?
The IUPAC name of trimethyl-[[(1S,2S,6S,7S,10S)-2,4,4,7,10-pentamethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-8-yl]oxy]silane (CID 10990608) is trimethyl-[[(1S,2S,6S,7S,10S)-2,4,4,7,10-pentamethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-8-yl]oxy]silane.
What is the SMILES notation for trimethyl-[[(1S,2S,6S,7S,10S)-2,4,4,7,10-pentamethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-8-yl]oxy]silane?
The canonical SMILES for trimethyl-[[(1S,2S,6S,7S,10S)-2,4,4,7,10-pentamethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-8-yl]oxy]silane is C[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)O[C@@H]1[C@]1(C)OC(C)(C)O[C@@H]12.
What is the InChIKey of trimethyl-[[(1S,2S,6S,7S,10S)-2,4,4,7,10-pentamethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-8-yl]oxy]silane?
The InChIKey is AZHKZJBLWIWZHB-GIRXQMHSSA-N. The full InChI is InChI=1S/C16H28O4Si/c1-10-9-11(19-21(6,7)8)15(4)13-16(5,12(10)17-15)20-14(2,3)18-13/h9-10,12-13H,1-8H3/t10-,12-,13+,15+,16-/m0/s1.
What are the key properties of trimethyl-[[(1S,2S,6S,7S,10S)-2,4,4,7,10-pentamethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-8-yl]oxy]silane?
trimethyl-[[(1S,2S,6S,7S,10S)-2,4,4,7,10-pentamethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-8-yl]oxy]silane has a molecular weight of 312.48 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(1S,2S,6S,7S,10S)-2,4,4,7,10-pentamethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-8-yl]oxy]silane is sourced from PubChem (CID 10990608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).