tert-butyl-(1,3-dimethylazulen-2-yl)-dimethylsilane

C18H26Si — CID 10468384

IUPACtert-butyl-(1,3-dimethylazulen-2-yl)-dimethylsilane
SMILESCc1c2cccccc-2c(C)c1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H26Si/c1-13-15-11-9-8-10-12-16(15)14(2)17(13)19(6,7)18(3,4)5/h8-12H,1-7H3
InChIKeyHXPDBAMHFQBJDN-UHFFFAOYSA-N
MW270.49 g/mol
LogP5.12
Rot. Bonds1

About tert-butyl-(1,3-dimethylazulen-2-yl)-dimethylsilane

tert-butyl-(1,3-dimethylazulen-2-yl)-dimethylsilane (PubChem CID 10468384) has the molecular formula C18H26Si and a molecular weight of 270.49 g/mol. Its IUPAC name is tert-butyl-(1,3-dimethylazulen-2-yl)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(1,3-dimethylazulen-2-yl)-dimethylsilane
PubChem CID10468384
Molecular FormulaC18H26Si
Molecular Weight270.49 g/mol
Exact Mass270.18
IUPAC Nametert-butyl-(1,3-dimethylazulen-2-yl)-dimethylsilane
SMILESCc1c2cccccc-2c(C)c1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H26Si/c1-13-15-11-9-8-10-12-16(15)14(2)17(13)19(6,7)18(3,4)5/h8-12H,1-7H3
InChIKeyHXPDBAMHFQBJDN-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.49
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tert-butyl-(1,3-dimethylazulen-2-yl)-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1,3-dimethylazulen-2-yl)-dimethylsilane?
The IUPAC name of tert-butyl-(1,3-dimethylazulen-2-yl)-dimethylsilane (CID 10468384) is tert-butyl-(1,3-dimethylazulen-2-yl)-dimethylsilane.
What is the SMILES notation for tert-butyl-(1,3-dimethylazulen-2-yl)-dimethylsilane?
The canonical SMILES for tert-butyl-(1,3-dimethylazulen-2-yl)-dimethylsilane is Cc1c2cccccc-2c(C)c1[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(1,3-dimethylazulen-2-yl)-dimethylsilane?
The InChIKey is HXPDBAMHFQBJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Si/c1-13-15-11-9-8-10-12-16(15)14(2)17(13)19(6,7)18(3,4)5/h8-12H,1-7H3.
What are the key properties of tert-butyl-(1,3-dimethylazulen-2-yl)-dimethylsilane?
tert-butyl-(1,3-dimethylazulen-2-yl)-dimethylsilane has a molecular weight of 270.49 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1,3-dimethylazulen-2-yl)-dimethylsilane is sourced from PubChem (CID 10468384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).