tert-butyl-[[(8E)-13-methoxy-16-methyl-5-tricyclo[11.3.1.05,16]heptadeca-1,8-dienyl]oxy]-dimethylsilane

C25H44O2Si — CID 135069631

IUPACtert-butyl-[[(8E)-13-methoxy-16-methyl-5-tricyclo[11.3.1.05,16]heptadeca-1,8-dienyl]oxy]-dimethylsilane
SMILESCOC12CCC/C=C/CCC3(O[Si](C)(C)C(C)(C)C)CCC=C(C1)C3(C)CC2
InChIInChI=1S/C25H44O2Si/c1-22(2,3)28(6,7)27-25-16-12-10-8-9-11-15-24(26-5)19-18-23(25,4)21(20-24)14-13-17-25/h8,10,14H,9,11-13,15-20H2,1-7H3/b10-8+
InChIKeyRGXAZRPWKNLKCE-CSKARUKUSA-N
MW404.71 g/mol
LogP7.56
Rot. Bonds3

About tert-butyl-[[(8E)-13-methoxy-16-methyl-5-tricyclo[11.3.1.05,16]heptadeca-1,8-dienyl]oxy]-dimethylsilane

tert-butyl-[[(8E)-13-methoxy-16-methyl-5-tricyclo[11.3.1.05,16]heptadeca-1,8-dienyl]oxy]-dimethylsilane (PubChem CID 135069631) has the molecular formula C25H44O2Si and a molecular weight of 404.71 g/mol. Its IUPAC name is tert-butyl-[[(8E)-13-methoxy-16-methyl-5-tricyclo[11.3.1.05,16]heptadeca-1,8-dienyl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(8E)-13-methoxy-16-methyl-5-tricyclo[11.3.1.05,16]heptadeca-1,8-dienyl]oxy]-dimethylsilane
PubChem CID135069631
Molecular FormulaC25H44O2Si
Molecular Weight404.71 g/mol
Exact Mass404.31
IUPAC Nametert-butyl-[[(8E)-13-methoxy-16-methyl-5-tricyclo[11.3.1.05,16]heptadeca-1,8-dienyl]oxy]-dimethylsilane
SMILESCOC12CCC/C=C/CCC3(O[Si](C)(C)C(C)(C)C)CCC=C(C1)C3(C)CC2
InChIInChI=1S/C25H44O2Si/c1-22(2,3)28(6,7)27-25-16-12-10-8-9-11-15-24(26-5)19-18-23(25,4)21(20-24)14-13-17-25/h8,10,14H,9,11-13,15-20H2,1-7H3/b10-8+
InChIKeyRGXAZRPWKNLKCE-CSKARUKUSA-N
XLogP7.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.71
LogP ≤ 57.56
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-[[(5S,8E,13S,16S)-13-methoxy-16-methyl-5-tricyclo[11.3.1.05,16]heptadeca-1,8-dienyl]oxy]-dimethylsilane
CID 11304269
[(1R,6R,8aS)-1-[(E)-4-iodobut-3-enyl]-6-methoxy-8a-methyl-6-prop-2-enyl-3,5,7,8-tetrahydro-2H-naphthalen-1-yl]oxy-tert-butyl-dimethylsilane
CID 101073554
tert-butyl-[[(8Z)-13-methoxy-16-methyl-5-tricyclo[11.3.1.05,16]heptadeca-1,8-dienyl]oxy]-dimethylsilane
CID 135069831
tert-butyl-[[1-[(E)-4-iodobut-3-enyl]-6-methoxy-8a-methyl-6-prop-2-enyl-3,5,7,8-tetrahydro-2H-naphthalen-1-yl]oxy]-dimethylsilane
CID 135074522
tert-butyl-[[1-[(Z)-4-iodobut-3-enyl]-6-methoxy-8a-methyl-6-prop-2-enyl-3,5,7,8-tetrahydro-2H-naphthalen-1-yl]oxy]-dimethylsilane
CID 135074525
3-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-1-(cyclohex-2-en-1-ylmethyl)-2,2-dimethylcyclohex-3-en-1-ol
CID 10619680
[(6R,8aS)-1-[(E)-4-iodobut-3-enyl]-6-methoxy-8a-methyl-6-prop-2-enyl-3,5,7,8-tetrahydro-2H-naphthalen-1-yl]oxy-tert-butyl-dimethylsilane
CID 11489448
tert-butyl-[[(5S,8Z,13S,16S)-13-methoxy-16-methyl-5-tricyclo[11.3.1.05,16]heptadeca-1,8-dienyl]oxy]-dimethylsilane
CID 16056157
[(1R,6R,8aS)-1-[(Z)-4-iodobut-3-enyl]-6-methoxy-8a-methyl-6-prop-2-enyl-3,5,7,8-tetrahydro-2H-naphthalen-1-yl]oxy-tert-butyl-dimethylsilane
CID 101073553
tert-butyl-[[(5S,13S,16S)-13-methoxy-16-methyl-5-tricyclo[11.3.1.05,16]heptadeca-1,8-dienyl]oxy]-dimethylsilane
CID 177587409

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(8E)-13-methoxy-16-methyl-5-tricyclo[11.3.1.05,16]heptadeca-1,8-dienyl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(8E)-13-methoxy-16-methyl-5-tricyclo[11.3.1.05,16]heptadeca-1,8-dienyl]oxy]-dimethylsilane (CID 135069631) is tert-butyl-[[(8E)-13-methoxy-16-methyl-5-tricyclo[11.3.1.05,16]heptadeca-1,8-dienyl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(8E)-13-methoxy-16-methyl-5-tricyclo[11.3.1.05,16]heptadeca-1,8-dienyl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(8E)-13-methoxy-16-methyl-5-tricyclo[11.3.1.05,16]heptadeca-1,8-dienyl]oxy]-dimethylsilane is COC12CCC/C=C/CCC3(O[Si](C)(C)C(C)(C)C)CCC=C(C1)C3(C)CC2.
What is the InChIKey of tert-butyl-[[(8E)-13-methoxy-16-methyl-5-tricyclo[11.3.1.05,16]heptadeca-1,8-dienyl]oxy]-dimethylsilane?
The InChIKey is RGXAZRPWKNLKCE-CSKARUKUSA-N. The full InChI is InChI=1S/C25H44O2Si/c1-22(2,3)28(6,7)27-25-16-12-10-8-9-11-15-24(26-5)19-18-23(25,4)21(20-24)14-13-17-25/h8,10,14H,9,11-13,15-20H2,1-7H3/b10-8+.
What are the key properties of tert-butyl-[[(8E)-13-methoxy-16-methyl-5-tricyclo[11.3.1.05,16]heptadeca-1,8-dienyl]oxy]-dimethylsilane?
tert-butyl-[[(8E)-13-methoxy-16-methyl-5-tricyclo[11.3.1.05,16]heptadeca-1,8-dienyl]oxy]-dimethylsilane has a molecular weight of 404.71 g/mol, XLogP of 7.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(8E)-13-methoxy-16-methyl-5-tricyclo[11.3.1.05,16]heptadeca-1,8-dienyl]oxy]-dimethylsilane is sourced from PubChem (CID 135069631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).