tert-butyl-dimethyl-[[(1S,9S,10S)-13-oxatricyclo[8.2.1.01,6]tridec-6-en-9-yl]methoxy]silane

C19H34O2Si — CID 23327744

IUPACtert-butyl-dimethyl-[[(1S,9S,10S)-13-oxatricyclo[8.2.1.01,6]tridec-6-en-9-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC=C2CCCC[C@]23CC[C@@H]1O3
InChIInChI=1S/C19H34O2Si/c1-18(2,3)22(4,5)20-14-15-9-10-16-8-6-7-12-19(16)13-11-17(15)21-19/h10,15,17H,6-9,11-14H2,1-5H3/t15-,17-,19-/m0/s1
InChIKeyIMIHGRCPSUBJCU-IEZWGBDMSA-N
MW322.56 g/mol
LogP5.45
Rot. Bonds3

About tert-butyl-dimethyl-[[(1S,9S,10S)-13-oxatricyclo[8.2.1.01,6]tridec-6-en-9-yl]methoxy]silane

tert-butyl-dimethyl-[[(1S,9S,10S)-13-oxatricyclo[8.2.1.01,6]tridec-6-en-9-yl]methoxy]silane (PubChem CID 23327744) has the molecular formula C19H34O2Si and a molecular weight of 322.56 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,9S,10S)-13-oxatricyclo[8.2.1.01,6]tridec-6-en-9-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1S,9S,10S)-13-oxatricyclo[8.2.1.01,6]tridec-6-en-9-yl]methoxy]silane
PubChem CID23327744
Molecular FormulaC19H34O2Si
Molecular Weight322.56 g/mol
Exact Mass322.23
IUPAC Nametert-butyl-dimethyl-[[(1S,9S,10S)-13-oxatricyclo[8.2.1.01,6]tridec-6-en-9-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC=C2CCCC[C@]23CC[C@@H]1O3
InChIInChI=1S/C19H34O2Si/c1-18(2,3)22(4,5)20-14-15-9-10-16-8-6-7-12-19(16)13-11-17(15)21-19/h10,15,17H,6-9,11-14H2,1-5H3/t15-,17-,19-/m0/s1
InChIKeyIMIHGRCPSUBJCU-IEZWGBDMSA-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 ≤ 500322.56
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-[(E)-3-cyclohexyl-2-[(2S,3S,6R)-3-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane
CID 134900451
[(1S,9S,10R)-9-methyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane
CID 139254989
[(1S,9S,10R)-9-ethenyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane
CID 139254993
[(1S,9S,10R)-9-butyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane
CID 139254994
[(3R)-3-[(E)-3-butoxyprop-1-enyl]-2-butylcyclohexen-1-yl]oxy-triethylsilane
CID 176427857
[(3R)-2-butyl-3-(3-cyclohexyloxyprop-1-en-2-yl)cyclohexen-1-yl]oxy-triethylsilane
CID 176427858
[(3R)-2-butyl-3-[(E)-3-cyclohexyloxyprop-1-enyl]cyclohexen-1-yl]oxy-triethylsilane
CID 176427859
[(3R)-2-butyl-3-(3-pentan-3-yloxyprop-1-en-2-yl)cyclohexen-1-yl]oxy-triethylsilane
CID 176427862
[(3R)-2-butyl-3-[(E)-3-pentan-3-yloxyprop-1-enyl]cyclohexen-1-yl]oxy-triethylsilane
CID 176427863
[(3R)-3-[3-[(E)-but-2-enoxy]prop-1-en-2-yl]-2-butylcyclohexen-1-yl]oxy-triethylsilane
CID 176427868
[(3R)-3-[(E)-3-[(E)-but-2-enoxy]prop-1-enyl]-2-butylcyclohexen-1-yl]oxy-triethylsilane
CID 176427869
[(3R)-2-butyl-3-[(E)-3-(2-methylprop-2-enoxy)prop-1-enyl]cyclohexen-1-yl]oxy-triethylsilane
CID 176427871

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1S,9S,10S)-13-oxatricyclo[8.2.1.01,6]tridec-6-en-9-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1S,9S,10S)-13-oxatricyclo[8.2.1.01,6]tridec-6-en-9-yl]methoxy]silane (CID 23327744) is tert-butyl-dimethyl-[[(1S,9S,10S)-13-oxatricyclo[8.2.1.01,6]tridec-6-en-9-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1S,9S,10S)-13-oxatricyclo[8.2.1.01,6]tridec-6-en-9-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1S,9S,10S)-13-oxatricyclo[8.2.1.01,6]tridec-6-en-9-yl]methoxy]silane is CC(C)(C)[Si](C)(C)OC[C@@H]1CC=C2CCCC[C@]23CC[C@@H]1O3.
What is the InChIKey of tert-butyl-dimethyl-[[(1S,9S,10S)-13-oxatricyclo[8.2.1.01,6]tridec-6-en-9-yl]methoxy]silane?
The InChIKey is IMIHGRCPSUBJCU-IEZWGBDMSA-N. The full InChI is InChI=1S/C19H34O2Si/c1-18(2,3)22(4,5)20-14-15-9-10-16-8-6-7-12-19(16)13-11-17(15)21-19/h10,15,17H,6-9,11-14H2,1-5H3/t15-,17-,19-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(1S,9S,10S)-13-oxatricyclo[8.2.1.01,6]tridec-6-en-9-yl]methoxy]silane?
tert-butyl-dimethyl-[[(1S,9S,10S)-13-oxatricyclo[8.2.1.01,6]tridec-6-en-9-yl]methoxy]silane has a molecular weight of 322.56 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,9S,10S)-13-oxatricyclo[8.2.1.01,6]tridec-6-en-9-yl]methoxy]silane is sourced from PubChem (CID 23327744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).