tert-butyl-dimethyl-octa-1,2-dien-4-ylsilane

C14H28Si — CID 11287548

IUPACtert-butyl-dimethyl-octa-1,2-dien-4-ylsilane
SMILESC=C=CC(CCCC)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28Si/c1-8-10-12-13(11-9-2)15(6,7)14(3,4)5/h11,13H,2,8,10,12H2,1,3-7H3
InChIKeyWNBWOFJTESJCMB-UHFFFAOYSA-N
MW224.46 g/mol
LogP5.40
Rot. Bonds5

About tert-butyl-dimethyl-octa-1,2-dien-4-ylsilane

tert-butyl-dimethyl-octa-1,2-dien-4-ylsilane (PubChem CID 11287548) has the molecular formula C14H28Si and a molecular weight of 224.46 g/mol. Its IUPAC name is tert-butyl-dimethyl-octa-1,2-dien-4-ylsilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-octa-1,2-dien-4-ylsilane
PubChem CID11287548
Molecular FormulaC14H28Si
Molecular Weight224.46 g/mol
Exact Mass224.20
IUPAC Nametert-butyl-dimethyl-octa-1,2-dien-4-ylsilane
SMILESC=C=CC(CCCC)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28Si/c1-8-10-12-13(11-9-2)15(6,7)14(3,4)5/h11,13H,2,8,10,12H2,1,3-7H3
InChIKeyWNBWOFJTESJCMB-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.46
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-octa-1,2-dien-4-ylsilane 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-dimethyl-octa-1,2-dien-4-ylsilane?
The IUPAC name of tert-butyl-dimethyl-octa-1,2-dien-4-ylsilane (CID 11287548) is tert-butyl-dimethyl-octa-1,2-dien-4-ylsilane.
What is the SMILES notation for tert-butyl-dimethyl-octa-1,2-dien-4-ylsilane?
The canonical SMILES for tert-butyl-dimethyl-octa-1,2-dien-4-ylsilane is C=C=CC(CCCC)[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-octa-1,2-dien-4-ylsilane?
The InChIKey is WNBWOFJTESJCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28Si/c1-8-10-12-13(11-9-2)15(6,7)14(3,4)5/h11,13H,2,8,10,12H2,1,3-7H3.
What are the key properties of tert-butyl-dimethyl-octa-1,2-dien-4-ylsilane?
tert-butyl-dimethyl-octa-1,2-dien-4-ylsilane has a molecular weight of 224.46 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-octa-1,2-dien-4-ylsilane is sourced from PubChem (CID 11287548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).