[(2S)-7-bromo-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-diethylsilane

C15H23BrSi — CID 159790681

IUPAC[(2S)-7-bromo-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-diethylsilane
SMILESCC[SiH](CC)[C@@]1(C)CCc2ccc(Br)cc2C1
InChIInChI=1S/C15H23BrSi/c1-4-17(5-2)15(3)9-8-12-6-7-14(16)10-13(12)11-15/h6-7,10,17H,4-5,8-9,11H2,1-3H3/t15-/m0/s1
InChIKeyNINAUFKGGYMWQR-HNNXBMFYSA-N
MW311.34 g/mol
LogP4.97
Rot. Bonds3

About [(2S)-7-bromo-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-diethylsilane

[(2S)-7-bromo-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-diethylsilane (PubChem CID 159790681) has the molecular formula C15H23BrSi and a molecular weight of 311.34 g/mol. Its IUPAC name is [(2S)-7-bromo-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-diethylsilane.

Molecular Properties

Compound Name[(2S)-7-bromo-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-diethylsilane
PubChem CID159790681
Molecular FormulaC15H23BrSi
Molecular Weight311.34 g/mol
Exact Mass310.08
IUPAC Name[(2S)-7-bromo-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-diethylsilane
SMILESCC[SiH](CC)[C@@]1(C)CCc2ccc(Br)cc2C1
InChIInChI=1S/C15H23BrSi/c1-4-17(5-2)15(3)9-8-12-6-7-14(16)10-13(12)11-15/h6-7,10,17H,4-5,8-9,11H2,1-3H3/t15-/m0/s1
InChIKeyNINAUFKGGYMWQR-HNNXBMFYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 [(2S)-7-bromo-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-diethylsilane?
The IUPAC name of [(2S)-7-bromo-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-diethylsilane (CID 159790681) is [(2S)-7-bromo-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-diethylsilane.
What is the SMILES notation for [(2S)-7-bromo-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-diethylsilane?
The canonical SMILES for [(2S)-7-bromo-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-diethylsilane is CC[SiH](CC)[C@@]1(C)CCc2ccc(Br)cc2C1.
What is the InChIKey of [(2S)-7-bromo-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-diethylsilane?
The InChIKey is NINAUFKGGYMWQR-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23BrSi/c1-4-17(5-2)15(3)9-8-12-6-7-14(16)10-13(12)11-15/h6-7,10,17H,4-5,8-9,11H2,1-3H3/t15-/m0/s1.
What are the key properties of [(2S)-7-bromo-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-diethylsilane?
[(2S)-7-bromo-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-diethylsilane has a molecular weight of 311.34 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-7-bromo-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-diethylsilane is sourced from PubChem (CID 159790681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).