(6-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxy-tert-butyl-dimethylsilane

C13H23BrOSi — CID 151749783

IUPAC(6-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxy-tert-butyl-dimethylsilane
SMILESCC1(Br)C=CC=CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H23BrOSi/c1-12(2,3)16(5,6)15-11-9-7-8-10-13(11,4)14/h7-11H,1-6H3
InChIKeyROGVLDXDTNGRNU-UHFFFAOYSA-N
MW303.32 g/mol
LogP4.66
Rot. Bonds2

About (6-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxy-tert-butyl-dimethylsilane

(6-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxy-tert-butyl-dimethylsilane (PubChem CID 151749783) has the molecular formula C13H23BrOSi and a molecular weight of 303.32 g/mol. Its IUPAC name is (6-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(6-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxy-tert-butyl-dimethylsilane
PubChem CID151749783
Molecular FormulaC13H23BrOSi
Molecular Weight303.32 g/mol
Exact Mass302.07
IUPAC Name(6-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxy-tert-butyl-dimethylsilane
SMILESCC1(Br)C=CC=CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H23BrOSi/c1-12(2,3)16(5,6)15-11-9-7-8-10-13(11,4)14/h7-11H,1-6H3
InChIKeyROGVLDXDTNGRNU-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(Z,2S)-4-bromo-4-(cyclohexen-1-yl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 11152147
[(3R,4E,6Z)-8-bromoocta-4,6-dien-3-yl]oxy-tert-butyl-dimethylsilane
CID 101492997
[(5E,7E)-2-bromonona-1,5,7-trien-4-yl]oxy-triethylsilane
CID 164668977
[(1E,3E,5R,7Z)-1-bromonona-1,3,7-trien-5-yl]oxy-tert-butyl-dimethylsilane
CID 164671391
[(1R,6R)-3-bromo-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane
CID 11683179
[(1R,6S)-2-bromo-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane
CID 16105055
6-(Bromomethyl)-6-[tert-butyl(dimethyl)silyl]cyclohexa-2,4-dien-1-ol
CID 67437591
[6-(Bromomethyl)-6-iodocyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane
CID 142642737
(6-Bromo-2,3-dihydronaphthalen-2-yl)oxy-tri(propan-2-yl)silane
CID 163676160
[(1S,6S)-2-bromo-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane
CID 11796351
[(1S,6R)-2-bromo-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane
CID 16105069
((3-Bromo-2-vinylcyclopent-2-EN-1-YL)oxy)(tert-butyl)dimethylsilane
CID 138109860

Frequently Asked Questions

What is the IUPAC name of (6-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxy-tert-butyl-dimethylsilane?
The IUPAC name of (6-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxy-tert-butyl-dimethylsilane (CID 151749783) is (6-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (6-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxy-tert-butyl-dimethylsilane?
The canonical SMILES for (6-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxy-tert-butyl-dimethylsilane is CC1(Br)C=CC=CC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (6-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxy-tert-butyl-dimethylsilane?
The InChIKey is ROGVLDXDTNGRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrOSi/c1-12(2,3)16(5,6)15-11-9-7-8-10-13(11,4)14/h7-11H,1-6H3.
What are the key properties of (6-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxy-tert-butyl-dimethylsilane?
(6-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxy-tert-butyl-dimethylsilane has a molecular weight of 303.32 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 151749783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).