[(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-trimethylsilane

C13H22O4Si — CID 10423282

IUPAC[(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-trimethylsilane
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@H]1CC(O[Si](C)(C)C)=C[C@@H]2O1
InChIInChI=1S/C13H22O4Si/c1-13(2)15-11-9-6-8(17-18(3,4)5)7-10(14-9)12(11)16-13/h6,9-12H,7H2,1-5H3/t9-,10+,11-,12+/m0/s1
InChIKeyVYGVHJJFTHOFNF-WHOHXGKFSA-N
MW270.40 g/mol
LogP2.41
Rot. Bonds2

About [(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-trimethylsilane

[(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-trimethylsilane (PubChem CID 10423282) has the molecular formula C13H22O4Si and a molecular weight of 270.40 g/mol. Its IUPAC name is [(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-trimethylsilane
PubChem CID10423282
Molecular FormulaC13H22O4Si
Molecular Weight270.40 g/mol
Exact Mass270.13
IUPAC Name[(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-trimethylsilane
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@H]1CC(O[Si](C)(C)C)=C[C@@H]2O1
InChIInChI=1S/C13H22O4Si/c1-13(2)15-11-9-6-8(17-18(3,4)5)7-10(14-9)12(11)16-13/h6,9-12H,7H2,1-5H3/t9-,10+,11-,12+/m0/s1
InChIKeyVYGVHJJFTHOFNF-WHOHXGKFSA-N
XLogP2.41
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-trimethylsilane with MolForge

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Related Compounds

[(2R)-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,6-dihydro-2H-pyran-6-yl]oxy-tert-butyl-dimethylsilane
CID 134973116
[(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
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
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
[(3aS,6S,6aS)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane
CID 101490072

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-trimethylsilane?
The IUPAC name of [(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) is [(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-trimethylsilane.
What is the SMILES notation for [(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-trimethylsilane?
The canonical SMILES for [(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-trimethylsilane is CC1(C)O[C@@H]2[C@H](O1)[C@H]1CC(O[Si](C)(C)C)=C[C@@H]2O1.
What is the InChIKey of [(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-trimethylsilane?
The InChIKey is VYGVHJJFTHOFNF-WHOHXGKFSA-N. The full InChI is InChI=1S/C13H22O4Si/c1-13(2)15-11-9-6-8(17-18(3,4)5)7-10(14-9)12(11)16-13/h6,9-12H,7H2,1-5H3/t9-,10+,11-,12+/m0/s1.
What are the key properties of [(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-trimethylsilane?
[(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-trimethylsilane has a molecular weight of 270.40 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-trimethylsilane is sourced from PubChem (CID 10423282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).