tert-butyl-[(4,5-dibromo-8-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)methoxy]-dimethylsilane

C18H24Br2O2Si — CID 102194821

IUPACtert-butyl-[(4,5-dibromo-8-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)methoxy]-dimethylsilane
SMILESCC12C=CC(CO[Si](C)(C)C(C)(C)C)(O1)c1cc(Br)c(Br)cc12
InChIInChI=1S/C18H24Br2O2Si/c1-16(2,3)23(5,6)21-11-18-8-7-17(4,22-18)12-9-14(19)15(20)10-13(12)18/h7-10H,11H2,1-6H3
InChIKeyMVRZEULOJLZLFJ-UHFFFAOYSA-N
MW460.28 g/mol
LogP6.24
Rot. Bonds3

About tert-butyl-[(4,5-dibromo-8-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)methoxy]-dimethylsilane

tert-butyl-[(4,5-dibromo-8-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)methoxy]-dimethylsilane (PubChem CID 102194821) has the molecular formula C18H24Br2O2Si and a molecular weight of 460.28 g/mol. Its IUPAC name is tert-butyl-[(4,5-dibromo-8-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4,5-dibromo-8-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)methoxy]-dimethylsilane
PubChem CID102194821
Molecular FormulaC18H24Br2O2Si
Molecular Weight460.28 g/mol
Exact Mass457.99
IUPAC Nametert-butyl-[(4,5-dibromo-8-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)methoxy]-dimethylsilane
SMILESCC12C=CC(CO[Si](C)(C)C(C)(C)C)(O1)c1cc(Br)c(Br)cc12
InChIInChI=1S/C18H24Br2O2Si/c1-16(2,3)23(5,6)21-11-18-8-7-17(4,22-18)12-9-14(19)15(20)10-13(12)18/h7-10H,11H2,1-6H3
InChIKeyMVRZEULOJLZLFJ-UHFFFAOYSA-N
XLogP6.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.28
LogP ≤ 56.24
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'}

Analyze tert-butyl-[(4,5-dibromo-8-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)methoxy]-dimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-dimethyl-[[(1R,8R)-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl]methoxy]silane
CID 71551467
3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propoxy-tert-butyl-dimethylsilane
CID 23518554
1,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dichloro-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 172628559
1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dichloro-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 172628478
(2-bromo-4-pyridinyl)methoxy-tert-butyl-dimethylsilane
CID 58538627
tert-butyl-[[(2S,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methoxy]-dimethylsilane
CID 101364464
(2aR,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2a-methyl-2,7-dihydrocyclobuta[a]inden-1-one
CID 11666836
[(1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-dien-2-yl]methanol
CID 139256625
(4-bromofuran-2-yl)methoxy-tert-butyl-dimethylsilane
CID 68521066
4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(7-isocyano-2,1,3-benzothiadiazol-4-yl)-7-methyl-4,7-epoxyisoindole-1,3-diol
CID 136650245
(4-bromophenyl)methoxy-tert-butyl-dimethylsilane
CID 10859583
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CID 142618982

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4,5-dibromo-8-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(4,5-dibromo-8-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)methoxy]-dimethylsilane (CID 102194821) is tert-butyl-[(4,5-dibromo-8-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4,5-dibromo-8-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(4,5-dibromo-8-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)methoxy]-dimethylsilane is CC12C=CC(CO[Si](C)(C)C(C)(C)C)(O1)c1cc(Br)c(Br)cc12.
What is the InChIKey of tert-butyl-[(4,5-dibromo-8-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)methoxy]-dimethylsilane?
The InChIKey is MVRZEULOJLZLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Br2O2Si/c1-16(2,3)23(5,6)21-11-18-8-7-17(4,22-18)12-9-14(19)15(20)10-13(12)18/h7-10H,11H2,1-6H3.
What are the key properties of tert-butyl-[(4,5-dibromo-8-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)methoxy]-dimethylsilane?
tert-butyl-[(4,5-dibromo-8-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)methoxy]-dimethylsilane has a molecular weight of 460.28 g/mol, XLogP of 6.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4,5-dibromo-8-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)methoxy]-dimethylsilane is sourced from PubChem (CID 102194821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).