2-(8-bromonaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane

C21H27BrSi — CID 155629900

IUPAC2-(8-bromonaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1cccc2cccc(Br)c12)(C(C)C)C(C)C
InChIInChI=1S/C21H27BrSi/c1-15(2)23(16(3)4,17(5)6)14-13-19-10-7-9-18-11-8-12-20(22)21(18)19/h7-12,15-17H,1-6H3
InChIKeyMEFPBMABWNYRKE-UHFFFAOYSA-N
MW387.44 g/mol
LogP7.17
Rot. Bonds3

About 2-(8-bromonaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane

2-(8-bromonaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane (PubChem CID 155629900) has the molecular formula C21H27BrSi and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-(8-bromonaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-(8-bromonaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane
PubChem CID155629900
Molecular FormulaC21H27BrSi
Molecular Weight387.44 g/mol
Exact Mass386.11
IUPAC Name2-(8-bromonaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1cccc2cccc(Br)c12)(C(C)C)C(C)C
InChIInChI=1S/C21H27BrSi/c1-15(2)23(16(3)4,17(5)6)14-13-19-10-7-9-18-11-8-12-20(22)21(18)19/h7-12,15-17H,1-6H3
InChIKeyMEFPBMABWNYRKE-UHFFFAOYSA-N
XLogP7.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(8-bromonaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-(8-bromonaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane (CID 155629900) is 2-(8-bromonaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-(8-bromonaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-(8-bromonaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane is CC(C)[Si](C#Cc1cccc2cccc(Br)c12)(C(C)C)C(C)C.
What is the InChIKey of 2-(8-bromonaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane?
The InChIKey is MEFPBMABWNYRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27BrSi/c1-15(2)23(16(3)4,17(5)6)14-13-19-10-7-9-18-11-8-12-20(22)21(18)19/h7-12,15-17H,1-6H3.
What are the key properties of 2-(8-bromonaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane?
2-(8-bromonaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane has a molecular weight of 387.44 g/mol, XLogP of 7.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-bromonaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 155629900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).