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

C18H32O5Si — CID 11046511

IUPACtert-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
SMILESCO[C@@]12CC(O[Si](C)(C)C(C)(C)C)=C[C@@](C)(O1)[C@H]1OC(C)(C)O[C@H]12
InChIInChI=1S/C18H32O5Si/c1-15(2,3)24(8,9)22-12-10-17(6)13-14(21-16(4,5)20-13)18(11-12,19-7)23-17/h10,13-14H,11H2,1-9H3/t13-,14+,17+,18-/m0/s1
InChIKeyZQQSDSCYYLWCLK-JFTQMJAMSA-N
MW356.54 g/mol
LogP3.95
Rot. Bonds3

About 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

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 (PubChem CID 11046511) has the molecular formula C18H32O5Si and a molecular weight of 356.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID11046511
Molecular FormulaC18H32O5Si
Molecular Weight356.54 g/mol
Exact Mass356.20
IUPAC Nametert-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
SMILESCO[C@@]12CC(O[Si](C)(C)C(C)(C)C)=C[C@@](C)(O1)[C@H]1OC(C)(C)O[C@H]12
InChIInChI=1S/C18H32O5Si/c1-15(2,3)24(8,9)22-12-10-17(6)13-14(21-16(4,5)20-13)18(11-12,19-7)23-17/h10,13-14H,11H2,1-9H3/t13-,14+,17+,18-/m0/s1
InChIKeyZQQSDSCYYLWCLK-JFTQMJAMSA-N
XLogP3.95
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 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
[(3'aR,5R,6'R,6'aR)-4-ethenyl-2',2'-dimethylspiro[2H-furan-5,4'-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole]-6'-yl]methoxy-tert-butyl-dimethylsilane
CID 46928637
[(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
[(6R)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane
CID 146169014
tert-butyl-[[(2S,3S)-3-[(4R,5S)-5-[(Z)-8-(2-hexyl-1,3-dioxolan-2-yl)oct-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyloxiran-2-yl]methoxy]-dimethylsilane
CID 10793136
[(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
[(3aR,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane
CID 164730672
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-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
tert-butyl-[[(4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-[(Z)-non-1-enyl]-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 21671841

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CO[C@@]12CC(O[Si](C)(C)C(C)(C)C)=C[C@@](C)(O1)[C@H]1OC(C)(C)O[C@H]12.
What is the InChIKey of 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?
The InChIKey is ZQQSDSCYYLWCLK-JFTQMJAMSA-N. The full InChI is InChI=1S/C18H32O5Si/c1-15(2,3)24(8,9)22-12-10-17(6)13-14(21-16(4,5)20-13)18(11-12,19-7)23-17/h10,13-14H,11H2,1-9H3/t13-,14+,17+,18-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 356.54 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 11046511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).