1-(8-bromo-3,4-dihydronaphthalen-1-yl)propoxy-tert-butyl-dimethylsilane

C19H29BrOSi — CID 18993686

IUPAC1-(8-bromo-3,4-dihydronaphthalen-1-yl)propoxy-tert-butyl-dimethylsilane
SMILESCCC(O[Si](C)(C)C(C)(C)C)C1=CCCc2cccc(Br)c21
InChIInChI=1S/C19H29BrOSi/c1-7-17(21-22(5,6)19(2,3)4)15-12-8-10-14-11-9-13-16(20)18(14)15/h9,11-13,17H,7-8,10H2,1-6H3
InChIKeyVZXQWNRJBIGOGI-UHFFFAOYSA-N
MW381.43 g/mol
LogP6.58
Rot. Bonds4

About 1-(8-bromo-3,4-dihydronaphthalen-1-yl)propoxy-tert-butyl-dimethylsilane

1-(8-bromo-3,4-dihydronaphthalen-1-yl)propoxy-tert-butyl-dimethylsilane (PubChem CID 18993686) has the molecular formula C19H29BrOSi and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-(8-bromo-3,4-dihydronaphthalen-1-yl)propoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name1-(8-bromo-3,4-dihydronaphthalen-1-yl)propoxy-tert-butyl-dimethylsilane
PubChem CID18993686
Molecular FormulaC19H29BrOSi
Molecular Weight381.43 g/mol
Exact Mass380.12
IUPAC Name1-(8-bromo-3,4-dihydronaphthalen-1-yl)propoxy-tert-butyl-dimethylsilane
SMILESCCC(O[Si](C)(C)C(C)(C)C)C1=CCCc2cccc(Br)c21
InChIInChI=1S/C19H29BrOSi/c1-7-17(21-22(5,6)19(2,3)4)15-12-8-10-14-11-9-13-16(20)18(14)15/h9,11-13,17H,7-8,10H2,1-6H3
InChIKeyVZXQWNRJBIGOGI-UHFFFAOYSA-N
XLogP6.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.43
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(8-bromo-3,4-dihydronaphthalen-1-yl)propoxy-tert-butyl-dimethylsilane?
The IUPAC name of 1-(8-bromo-3,4-dihydronaphthalen-1-yl)propoxy-tert-butyl-dimethylsilane (CID 18993686) is 1-(8-bromo-3,4-dihydronaphthalen-1-yl)propoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 1-(8-bromo-3,4-dihydronaphthalen-1-yl)propoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 1-(8-bromo-3,4-dihydronaphthalen-1-yl)propoxy-tert-butyl-dimethylsilane is CCC(O[Si](C)(C)C(C)(C)C)C1=CCCc2cccc(Br)c21.
What is the InChIKey of 1-(8-bromo-3,4-dihydronaphthalen-1-yl)propoxy-tert-butyl-dimethylsilane?
The InChIKey is VZXQWNRJBIGOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BrOSi/c1-7-17(21-22(5,6)19(2,3)4)15-12-8-10-14-11-9-13-16(20)18(14)15/h9,11-13,17H,7-8,10H2,1-6H3.
What are the key properties of 1-(8-bromo-3,4-dihydronaphthalen-1-yl)propoxy-tert-butyl-dimethylsilane?
1-(8-bromo-3,4-dihydronaphthalen-1-yl)propoxy-tert-butyl-dimethylsilane has a molecular weight of 381.43 g/mol, XLogP of 6.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-bromo-3,4-dihydronaphthalen-1-yl)propoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 18993686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).