2-(3-bromoprop-2-ynyl)hex-4-ynoxy-tert-butyl-dimethylsilane

C15H25BrOSi — CID 156862877

IUPAC2-(3-bromoprop-2-ynyl)hex-4-ynoxy-tert-butyl-dimethylsilane
SMILESCC#CCC(CC#CBr)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H25BrOSi/c1-7-8-10-14(11-9-12-16)13-17-18(5,6)15(2,3)4/h14H,10-11,13H2,1-6H3
InChIKeyGFQZDZPQYWRWPP-UHFFFAOYSA-N
MW329.35 g/mol
LogP4.78
Rot. Bonds5

About 2-(3-bromoprop-2-ynyl)hex-4-ynoxy-tert-butyl-dimethylsilane

2-(3-bromoprop-2-ynyl)hex-4-ynoxy-tert-butyl-dimethylsilane (PubChem CID 156862877) has the molecular formula C15H25BrOSi and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-(3-bromoprop-2-ynyl)hex-4-ynoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-(3-bromoprop-2-ynyl)hex-4-ynoxy-tert-butyl-dimethylsilane
PubChem CID156862877
Molecular FormulaC15H25BrOSi
Molecular Weight329.35 g/mol
Exact Mass328.09
IUPAC Name2-(3-bromoprop-2-ynyl)hex-4-ynoxy-tert-butyl-dimethylsilane
SMILESCC#CCC(CC#CBr)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H25BrOSi/c1-7-8-10-14(11-9-12-16)13-17-18(5,6)15(2,3)4/h14H,10-11,13H2,1-6H3
InChIKeyGFQZDZPQYWRWPP-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(3-bromoprop-2-ynyl)hex-4-ynoxy-tert-butyl-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 2-(3-bromoprop-2-ynyl)hex-4-ynoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-(3-bromoprop-2-ynyl)hex-4-ynoxy-tert-butyl-dimethylsilane (CID 156862877) is 2-(3-bromoprop-2-ynyl)hex-4-ynoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-(3-bromoprop-2-ynyl)hex-4-ynoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-(3-bromoprop-2-ynyl)hex-4-ynoxy-tert-butyl-dimethylsilane is CC#CCC(CC#CBr)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-(3-bromoprop-2-ynyl)hex-4-ynoxy-tert-butyl-dimethylsilane?
The InChIKey is GFQZDZPQYWRWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrOSi/c1-7-8-10-14(11-9-12-16)13-17-18(5,6)15(2,3)4/h14H,10-11,13H2,1-6H3.
What are the key properties of 2-(3-bromoprop-2-ynyl)hex-4-ynoxy-tert-butyl-dimethylsilane?
2-(3-bromoprop-2-ynyl)hex-4-ynoxy-tert-butyl-dimethylsilane has a molecular weight of 329.35 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoprop-2-ynyl)hex-4-ynoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 156862877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).