tert-butyl-hexa-3,4-dien-3-yl-dimethylsilane

C12H24Si — CID 123537321

IUPACtert-butyl-hexa-3,4-dien-3-yl-dimethylsilane
SMILESCC=C=C(CC)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24Si/c1-8-10-11(9-2)13(6,7)12(3,4)5/h8H,9H2,1-7H3
InChIKeyCQTDZGFENJDJNK-UHFFFAOYSA-N
MW196.41 g/mol
LogP4.55
Rot. Bonds2

About tert-butyl-hexa-3,4-dien-3-yl-dimethylsilane

tert-butyl-hexa-3,4-dien-3-yl-dimethylsilane (PubChem CID 123537321) has the molecular formula C12H24Si and a molecular weight of 196.41 g/mol. Its IUPAC name is tert-butyl-hexa-3,4-dien-3-yl-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-hexa-3,4-dien-3-yl-dimethylsilane
PubChem CID123537321
Molecular FormulaC12H24Si
Molecular Weight196.41 g/mol
Exact Mass196.16
IUPAC Nametert-butyl-hexa-3,4-dien-3-yl-dimethylsilane
SMILESCC=C=C(CC)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24Si/c1-8-10-11(9-2)13(6,7)12(3,4)5/h8H,9H2,1-7H3
InChIKeyCQTDZGFENJDJNK-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.41
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tert-butyl-hexa-3,4-dien-3-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-hexa-3,4-dien-3-yl-dimethylsilane?
The IUPAC name of tert-butyl-hexa-3,4-dien-3-yl-dimethylsilane (CID 123537321) is tert-butyl-hexa-3,4-dien-3-yl-dimethylsilane.
What is the SMILES notation for tert-butyl-hexa-3,4-dien-3-yl-dimethylsilane?
The canonical SMILES for tert-butyl-hexa-3,4-dien-3-yl-dimethylsilane is CC=C=C(CC)[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-hexa-3,4-dien-3-yl-dimethylsilane?
The InChIKey is CQTDZGFENJDJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24Si/c1-8-10-11(9-2)13(6,7)12(3,4)5/h8H,9H2,1-7H3.
What are the key properties of tert-butyl-hexa-3,4-dien-3-yl-dimethylsilane?
tert-butyl-hexa-3,4-dien-3-yl-dimethylsilane has a molecular weight of 196.41 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-hexa-3,4-dien-3-yl-dimethylsilane is sourced from PubChem (CID 123537321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).