3,5-bis(dimethylsilyl)hexa-3,4-dien-1-ynyl-dimethylsilane

C12H24Si3 — CID 616947

IUPAC3,5-bis(dimethylsilyl)hexa-3,4-dien-1-ynyl-dimethylsilane
SMILESCC(=C=C(C#C[SiH](C)C)[SiH](C)C)[SiH](C)C
InChIInChI=1S/C12H24Si3/c1-11(14(4)5)10-12(15(6)7)8-9-13(2)3/h13-15H,1-7H3
InChIKeyYHRCRRSAVISODF-UHFFFAOYSA-N
MW252.58 g/mol
LogP2.54
Rot. Bonds2

About 3,5-bis(dimethylsilyl)hexa-3,4-dien-1-ynyl-dimethylsilane

3,5-bis(dimethylsilyl)hexa-3,4-dien-1-ynyl-dimethylsilane (PubChem CID 616947) has the molecular formula C12H24Si3 and a molecular weight of 252.58 g/mol. Its IUPAC name is 3,5-bis(dimethylsilyl)hexa-3,4-dien-1-ynyl-dimethylsilane.

Molecular Properties

Compound Name3,5-bis(dimethylsilyl)hexa-3,4-dien-1-ynyl-dimethylsilane
PubChem CID616947
Molecular FormulaC12H24Si3
Molecular Weight252.58 g/mol
Exact Mass252.12
IUPAC Name3,5-bis(dimethylsilyl)hexa-3,4-dien-1-ynyl-dimethylsilane
SMILESCC(=C=C(C#C[SiH](C)C)[SiH](C)C)[SiH](C)C
InChIInChI=1S/C12H24Si3/c1-11(14(4)5)10-12(15(6)7)8-9-13(2)3/h13-15H,1-7H3
InChIKeyYHRCRRSAVISODF-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.58
LogP ≤ 52.54
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 3,5-bis(dimethylsilyl)hexa-3,4-dien-1-ynyl-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 3,5-bis(dimethylsilyl)hexa-3,4-dien-1-ynyl-dimethylsilane?
The IUPAC name of 3,5-bis(dimethylsilyl)hexa-3,4-dien-1-ynyl-dimethylsilane (CID 616947) is 3,5-bis(dimethylsilyl)hexa-3,4-dien-1-ynyl-dimethylsilane.
What is the SMILES notation for 3,5-bis(dimethylsilyl)hexa-3,4-dien-1-ynyl-dimethylsilane?
The canonical SMILES for 3,5-bis(dimethylsilyl)hexa-3,4-dien-1-ynyl-dimethylsilane is CC(=C=C(C#C[SiH](C)C)[SiH](C)C)[SiH](C)C.
What is the InChIKey of 3,5-bis(dimethylsilyl)hexa-3,4-dien-1-ynyl-dimethylsilane?
The InChIKey is YHRCRRSAVISODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24Si3/c1-11(14(4)5)10-12(15(6)7)8-9-13(2)3/h13-15H,1-7H3.
What are the key properties of 3,5-bis(dimethylsilyl)hexa-3,4-dien-1-ynyl-dimethylsilane?
3,5-bis(dimethylsilyl)hexa-3,4-dien-1-ynyl-dimethylsilane has a molecular weight of 252.58 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(dimethylsilyl)hexa-3,4-dien-1-ynyl-dimethylsilane is sourced from PubChem (CID 616947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).