(7-bromo-3,4-dihydronaphthalen-1-yl)oxy-trimethylsilane

C13H17BrOSi — CID 11323959

IUPAC(7-bromo-3,4-dihydronaphthalen-1-yl)oxy-trimethylsilane
SMILESC[Si](C)(C)OC1=CCCc2ccc(Br)cc21
InChIInChI=1S/C13H17BrOSi/c1-16(2,3)15-13-6-4-5-10-7-8-11(14)9-12(10)13/h6-9H,4-5H2,1-3H3
InChIKeyKJACIOFSCFCFSZ-UHFFFAOYSA-N
MW297.27 g/mol
LogP4.59
Rot. Bonds2

About (7-bromo-3,4-dihydronaphthalen-1-yl)oxy-trimethylsilane

(7-bromo-3,4-dihydronaphthalen-1-yl)oxy-trimethylsilane (PubChem CID 11323959) has the molecular formula C13H17BrOSi and a molecular weight of 297.27 g/mol. Its IUPAC name is (7-bromo-3,4-dihydronaphthalen-1-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(7-bromo-3,4-dihydronaphthalen-1-yl)oxy-trimethylsilane
PubChem CID11323959
Molecular FormulaC13H17BrOSi
Molecular Weight297.27 g/mol
Exact Mass296.02
IUPAC Name(7-bromo-3,4-dihydronaphthalen-1-yl)oxy-trimethylsilane
SMILESC[Si](C)(C)OC1=CCCc2ccc(Br)cc21
InChIInChI=1S/C13H17BrOSi/c1-16(2,3)15-13-6-4-5-10-7-8-11(14)9-12(10)13/h6-9H,4-5H2,1-3H3
InChIKeyKJACIOFSCFCFSZ-UHFFFAOYSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 54.59
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 (7-bromo-3,4-dihydronaphthalen-1-yl)oxy-trimethylsilane?
The IUPAC name of (7-bromo-3,4-dihydronaphthalen-1-yl)oxy-trimethylsilane (CID 11323959) is (7-bromo-3,4-dihydronaphthalen-1-yl)oxy-trimethylsilane.
What is the SMILES notation for (7-bromo-3,4-dihydronaphthalen-1-yl)oxy-trimethylsilane?
The canonical SMILES for (7-bromo-3,4-dihydronaphthalen-1-yl)oxy-trimethylsilane is C[Si](C)(C)OC1=CCCc2ccc(Br)cc21.
What is the InChIKey of (7-bromo-3,4-dihydronaphthalen-1-yl)oxy-trimethylsilane?
The InChIKey is KJACIOFSCFCFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrOSi/c1-16(2,3)15-13-6-4-5-10-7-8-11(14)9-12(10)13/h6-9H,4-5H2,1-3H3.
What are the key properties of (7-bromo-3,4-dihydronaphthalen-1-yl)oxy-trimethylsilane?
(7-bromo-3,4-dihydronaphthalen-1-yl)oxy-trimethylsilane has a molecular weight of 297.27 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-3,4-dihydronaphthalen-1-yl)oxy-trimethylsilane is sourced from PubChem (CID 11323959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).