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

C19H29BrOSi — CID 54076439

IUPAC3-(8-bromo-3,4-dihydronaphthalen-1-yl)propoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCC1=CCCc2cccc(Br)c21
InChIInChI=1S/C19H29BrOSi/c1-19(2,3)22(4,5)21-14-8-12-16-10-6-9-15-11-7-13-17(20)18(15)16/h7,10-11,13H,6,8-9,12,14H2,1-5H3
InChIKeyMKAUPRSWHIMIGJ-UHFFFAOYSA-N
MW381.43 g/mol
LogP6.58
Rot. Bonds5

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

3-(8-bromo-3,4-dihydronaphthalen-1-yl)propoxy-tert-butyl-dimethylsilane (PubChem CID 54076439) has the molecular formula C19H29BrOSi and a molecular weight of 381.43 g/mol. Its IUPAC name is 3-(8-bromo-3,4-dihydronaphthalen-1-yl)propoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name3-(8-bromo-3,4-dihydronaphthalen-1-yl)propoxy-tert-butyl-dimethylsilane
PubChem CID54076439
Molecular FormulaC19H29BrOSi
Molecular Weight381.43 g/mol
Exact Mass380.12
IUPAC Name3-(8-bromo-3,4-dihydronaphthalen-1-yl)propoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCC1=CCCc2cccc(Br)c21
InChIInChI=1S/C19H29BrOSi/c1-19(2,3)22(4,5)21-14-8-12-16-10-6-9-15-11-7-13-17(20)18(15)16/h7,10-11,13H,6,8-9,12,14H2,1-5H3
InChIKeyMKAUPRSWHIMIGJ-UHFFFAOYSA-N
XLogP6.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(8-bromo-3,4-dihydronaphthalen-1-yl)propoxy-tert-butyl-dimethylsilane?
The IUPAC name of 3-(8-bromo-3,4-dihydronaphthalen-1-yl)propoxy-tert-butyl-dimethylsilane (CID 54076439) is 3-(8-bromo-3,4-dihydronaphthalen-1-yl)propoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 3-(8-bromo-3,4-dihydronaphthalen-1-yl)propoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 3-(8-bromo-3,4-dihydronaphthalen-1-yl)propoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCC1=CCCc2cccc(Br)c21.
What is the InChIKey of 3-(8-bromo-3,4-dihydronaphthalen-1-yl)propoxy-tert-butyl-dimethylsilane?
The InChIKey is MKAUPRSWHIMIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BrOSi/c1-19(2,3)22(4,5)21-14-8-12-16-10-6-9-15-11-7-13-17(20)18(15)16/h7,10-11,13H,6,8-9,12,14H2,1-5H3.
What are the key properties of 3-(8-bromo-3,4-dihydronaphthalen-1-yl)propoxy-tert-butyl-dimethylsilane?
3-(8-bromo-3,4-dihydronaphthalen-1-yl)propoxy-tert-butyl-dimethylsilane has a molecular weight of 381.43 g/mol, XLogP of 6.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-bromo-3,4-dihydronaphthalen-1-yl)propoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 54076439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).