(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-tert-butyl-dimethylsilane

C18H29BrOSi — CID 22571526

IUPAC(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-tert-butyl-dimethylsilane
SMILESCC1(C)CCC(O[Si](C)(C)C(C)(C)C)c2cc(Br)ccc21
InChIInChI=1S/C18H29BrOSi/c1-17(2,3)21(6,7)20-16-10-11-18(4,5)15-9-8-13(19)12-14(15)16/h8-9,12,16H,10-11H2,1-7H3
InChIKeyJFXOVWFYTQXFLV-UHFFFAOYSA-N
MW369.42 g/mol
LogP6.58
Rot. Bonds2

About (7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-tert-butyl-dimethylsilane

(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-tert-butyl-dimethylsilane (PubChem CID 22571526) has the molecular formula C18H29BrOSi and a molecular weight of 369.42 g/mol. Its IUPAC name is (7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-tert-butyl-dimethylsilane
PubChem CID22571526
Molecular FormulaC18H29BrOSi
Molecular Weight369.42 g/mol
Exact Mass368.12
IUPAC Name(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-tert-butyl-dimethylsilane
SMILESCC1(C)CCC(O[Si](C)(C)C(C)(C)C)c2cc(Br)ccc21
InChIInChI=1S/C18H29BrOSi/c1-17(2,3)21(6,7)20-16-10-11-18(4,5)15-9-8-13(19)12-14(15)16/h8-9,12,16H,10-11H2,1-7H3
InChIKeyJFXOVWFYTQXFLV-UHFFFAOYSA-N
XLogP6.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-(1-fluorobutyl)-dimethylsilane
CID 67721113
(7-Bromo-3,4-dihydronaphthalen-1-yloxy)trimethylsilane
CID 11323959
[(S)-1-(4-Bromo-phenyl)-hexyloxy]-tert-butyl-dimethyl-silane
CID 11383144
Silane, [(6-bromo-2-naphthalenyl)methoxy](1,1-dimethylethyl)dimethyl-
CID 13473071
(4-Bromo-2,6-dimethylphenyl)methoxy-tert-butyl-dimethylsilane
CID 14680146
7-Bromo-3,3-dimethyl-1,2,3,4-tetrahydro-1-naphthol
CID 14819405
[(3-Bromophenanthren-9-YL)methoxy](tert-butyl)dimethylsilane
CID 15159130
(6-Bromophenanthren-2-yl)methoxy-tert-butyl-dimethylsilane
CID 15159140
[(3-Bromonaphthalen-1-yl)methoxy](tert-butyl)dimethylsilane
CID 15166585
[(3-Bromophenyl)-phenylmethoxy]-trimethylsilane
CID 18957458
1-(8-Bromo-3,4-dihydronaphthalen-1-yl)propoxy-tert-butyl-dimethylsilane
CID 18993686
6-Bromo-4-cyclohexyloxy-1,1-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 19694963

Frequently Asked Questions

What is the IUPAC name of (7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-tert-butyl-dimethylsilane?
The IUPAC name of (7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-tert-butyl-dimethylsilane (CID 22571526) is (7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-tert-butyl-dimethylsilane?
The canonical SMILES for (7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-tert-butyl-dimethylsilane is CC1(C)CCC(O[Si](C)(C)C(C)(C)C)c2cc(Br)ccc21.
What is the InChIKey of (7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-tert-butyl-dimethylsilane?
The InChIKey is JFXOVWFYTQXFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrOSi/c1-17(2,3)21(6,7)20-16-10-11-18(4,5)15-9-8-13(19)12-14(15)16/h8-9,12,16H,10-11H2,1-7H3.
What are the key properties of (7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-tert-butyl-dimethylsilane?
(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-tert-butyl-dimethylsilane has a molecular weight of 369.42 g/mol, XLogP of 6.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 22571526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).