(3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane

C14H24Si — CID 135072814

IUPAC(3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane
SMILESCC(C)=C=C(C#C[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C14H24Si/c1-12(2)11-13(14(3,4)5)9-10-15(6,7)8/h1-8H3
InChIKeyAVZGZHUPGWHQLO-UHFFFAOYSA-N
MW220.43 g/mol
LogP4.40
Rot. Bonds

About (3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane

(3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane (PubChem CID 135072814) has the molecular formula C14H24Si and a molecular weight of 220.43 g/mol. Its IUPAC name is (3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane.

Molecular Properties

Compound Name(3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane
PubChem CID135072814
Molecular FormulaC14H24Si
Molecular Weight220.43 g/mol
Exact Mass220.16
IUPAC Name(3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane
SMILESCC(C)=C=C(C#C[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C14H24Si/c1-12(2)11-13(14(3,4)5)9-10-15(6,7)8/h1-8H3
InChIKeyAVZGZHUPGWHQLO-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.43
LogP ≤ 54.40
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'}

Analyze (3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane 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 (3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane?
The IUPAC name of (3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane (CID 135072814) is (3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane.
What is the SMILES notation for (3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane?
The canonical SMILES for (3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane is CC(C)=C=C(C#C[Si](C)(C)C)C(C)(C)C.
What is the InChIKey of (3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane?
The InChIKey is AVZGZHUPGWHQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24Si/c1-12(2)11-13(14(3,4)5)9-10-15(6,7)8/h1-8H3.
What are the key properties of (3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane?
(3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane has a molecular weight of 220.43 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane is sourced from PubChem (CID 135072814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).