trimethyl(1-trimethylsilyloct-1-yn-3-yl)silane

C14H30Si2 — CID 13199500

IUPACtrimethyl(1-trimethylsilyloct-1-yn-3-yl)silane
SMILESCCCCCC(C#C[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H30Si2/c1-8-9-10-11-14(16(5,6)7)12-13-15(2,3)4/h14H,8-11H2,1-7H3
InChIKeyXPLNCODBZZTUAT-UHFFFAOYSA-N
MW254.57 g/mol
LogP5.16
Rot. Bonds5

About trimethyl(1-trimethylsilyloct-1-yn-3-yl)silane

trimethyl(1-trimethylsilyloct-1-yn-3-yl)silane (PubChem CID 13199500) has the molecular formula C14H30Si2 and a molecular weight of 254.57 g/mol. Its IUPAC name is trimethyl(1-trimethylsilyloct-1-yn-3-yl)silane.

Molecular Properties

Compound Nametrimethyl(1-trimethylsilyloct-1-yn-3-yl)silane
PubChem CID13199500
Molecular FormulaC14H30Si2
Molecular Weight254.57 g/mol
Exact Mass254.19
IUPAC Nametrimethyl(1-trimethylsilyloct-1-yn-3-yl)silane
SMILESCCCCCC(C#C[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H30Si2/c1-8-9-10-11-14(16(5,6)7)12-13-15(2,3)4/h14H,8-11H2,1-7H3
InChIKeyXPLNCODBZZTUAT-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.57
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze trimethyl(1-trimethylsilyloct-1-yn-3-yl)silane 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 trimethyl(1-trimethylsilyloct-1-yn-3-yl)silane?
The IUPAC name of trimethyl(1-trimethylsilyloct-1-yn-3-yl)silane (CID 13199500) is trimethyl(1-trimethylsilyloct-1-yn-3-yl)silane.
What is the SMILES notation for trimethyl(1-trimethylsilyloct-1-yn-3-yl)silane?
The canonical SMILES for trimethyl(1-trimethylsilyloct-1-yn-3-yl)silane is CCCCCC(C#C[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of trimethyl(1-trimethylsilyloct-1-yn-3-yl)silane?
The InChIKey is XPLNCODBZZTUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30Si2/c1-8-9-10-11-14(16(5,6)7)12-13-15(2,3)4/h14H,8-11H2,1-7H3.
What are the key properties of trimethyl(1-trimethylsilyloct-1-yn-3-yl)silane?
trimethyl(1-trimethylsilyloct-1-yn-3-yl)silane has a molecular weight of 254.57 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(1-trimethylsilyloct-1-yn-3-yl)silane is sourced from PubChem (CID 13199500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).