tert-butyl-dimethyl-[[(1S,8S,9R)-9-methyl-12-oxatricyclo[7.2.1.01,5]dodec-4-en-8-yl]methoxy]silane

C19H34O2Si — CID 10471401

IUPACtert-butyl-dimethyl-[[(1S,8S,9R)-9-methyl-12-oxatricyclo[7.2.1.01,5]dodec-4-en-8-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC2=CCC[C@]23CC[C@@]1(C)O3
InChIInChI=1S/C19H34O2Si/c1-17(2,3)22(5,6)20-14-16-10-9-15-8-7-11-19(15)13-12-18(16,4)21-19/h8,16H,7,9-14H2,1-6H3/t16-,18+,19-/m0/s1
InChIKeyNMLZPRFASAFWCQ-UHOSZYNNSA-N
MW322.57 g/mol
LogP5.45
Rot. Bonds3

About tert-butyl-dimethyl-[[(1S,8S,9R)-9-methyl-12-oxatricyclo[7.2.1.01,5]dodec-4-en-8-yl]methoxy]silane

tert-butyl-dimethyl-[[(1S,8S,9R)-9-methyl-12-oxatricyclo[7.2.1.01,5]dodec-4-en-8-yl]methoxy]silane (PubChem CID 10471401) has the molecular formula C19H34O2Si and a molecular weight of 322.57 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,8S,9R)-9-methyl-12-oxatricyclo[7.2.1.01,5]dodec-4-en-8-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1S,8S,9R)-9-methyl-12-oxatricyclo[7.2.1.01,5]dodec-4-en-8-yl]methoxy]silane
PubChem CID10471401
Molecular FormulaC19H34O2Si
Molecular Weight322.57 g/mol
Exact Mass322.23
IUPAC Nametert-butyl-dimethyl-[[(1S,8S,9R)-9-methyl-12-oxatricyclo[7.2.1.01,5]dodec-4-en-8-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC2=CCC[C@]23CC[C@@]1(C)O3
InChIInChI=1S/C19H34O2Si/c1-17(2,3)22(5,6)20-14-16-10-9-15-8-7-11-19(15)13-12-18(16,4)21-19/h8,16H,7,9-14H2,1-6H3/t16-,18+,19-/m0/s1
InChIKeyNMLZPRFASAFWCQ-UHOSZYNNSA-N
XLogP5.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.57
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

tert-butyl-dimethyl-[[(1S,2R,10S)-12-methyl-11-oxatricyclo[7.2.1.05,10]dodeca-5,9(12)-dien-2-yl]methoxy]silane
CID 21670601
tert-butyl-dimethyl-[[(1S,2S,10S)-12-methyl-11-oxatricyclo[7.2.1.05,10]dodeca-5,9(12)-dien-2-yl]methoxy]silane
CID 21670602
tert-butyl-dimethyl-[[(1S,8S,9R)-12-oxatricyclo[7.2.1.01,5]dodec-5-en-8-yl]methoxy]silane
CID 10018162
tert-butyl-dimethyl-[[(1S,9S,10R)-13-oxatricyclo[8.2.1.01,6]tridec-5-en-9-yl]methoxy]silane
CID 10019059
tert-butyl-dimethyl-[[(1S,9S,10R)-13-oxatricyclo[8.2.1.01,6]tridec-6-en-9-yl]methoxy]silane
CID 10064752
tert-butyl-dimethyl-[[(1S,8S,9R)-9-methyl-12-oxatricyclo[7.2.1.01,5]dodec-5-en-8-yl]methoxy]silane
CID 10381487
tert-butyl-dimethyl-[[(1S,8S,9R)-12-oxatricyclo[7.2.1.01,5]dodec-4-en-8-yl]methoxy]silane
CID 10403043
tert-butyl-dimethyl-[[(1S,8S,9S)-12-oxatricyclo[7.2.1.01,5]dodec-4-en-8-yl]methoxy]silane
CID 23230576
tert-butyl-dimethyl-[[(1S,8S,9S)-12-oxatricyclo[7.2.1.01,5]dodec-5-en-8-yl]methoxy]silane
CID 23327284
tert-butyl-dimethyl-[[(1S,9S,10S)-13-oxatricyclo[8.2.1.01,6]tridec-5-en-9-yl]methoxy]silane
CID 23327292
tert-butyl-dimethyl-[[(1S,9S,10S)-13-oxatricyclo[8.2.1.01,6]tridec-6-en-9-yl]methoxy]silane
CID 23327744
tert-butyl-[(1S,2R)-1-(2,5-dihydrofuran-3-yl)-2-ethenylcycloheptyl]oxy-dimethylsilane
CID 101270901

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1S,8S,9R)-9-methyl-12-oxatricyclo[7.2.1.01,5]dodec-4-en-8-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1S,8S,9R)-9-methyl-12-oxatricyclo[7.2.1.01,5]dodec-4-en-8-yl]methoxy]silane (CID 10471401) is tert-butyl-dimethyl-[[(1S,8S,9R)-9-methyl-12-oxatricyclo[7.2.1.01,5]dodec-4-en-8-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1S,8S,9R)-9-methyl-12-oxatricyclo[7.2.1.01,5]dodec-4-en-8-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1S,8S,9R)-9-methyl-12-oxatricyclo[7.2.1.01,5]dodec-4-en-8-yl]methoxy]silane is CC(C)(C)[Si](C)(C)OC[C@@H]1CCC2=CCC[C@]23CC[C@@]1(C)O3.
What is the InChIKey of tert-butyl-dimethyl-[[(1S,8S,9R)-9-methyl-12-oxatricyclo[7.2.1.01,5]dodec-4-en-8-yl]methoxy]silane?
The InChIKey is NMLZPRFASAFWCQ-UHOSZYNNSA-N. The full InChI is InChI=1S/C19H34O2Si/c1-17(2,3)22(5,6)20-14-16-10-9-15-8-7-11-19(15)13-12-18(16,4)21-19/h8,16H,7,9-14H2,1-6H3/t16-,18+,19-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(1S,8S,9R)-9-methyl-12-oxatricyclo[7.2.1.01,5]dodec-4-en-8-yl]methoxy]silane?
tert-butyl-dimethyl-[[(1S,8S,9R)-9-methyl-12-oxatricyclo[7.2.1.01,5]dodec-4-en-8-yl]methoxy]silane has a molecular weight of 322.57 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1S,8S,9R)-9-methyl-12-oxatricyclo[7.2.1.01,5]dodec-4-en-8-yl]methoxy]silane is sourced from PubChem (CID 10471401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).