trimethyl-[13-(oxan-2-yloxy)tridecyl]silane

C21H44O2Si — CID 86200856

IUPACtrimethyl-[13-(oxan-2-yloxy)tridecyl]silane
SMILESC[Si](C)(C)CCCCCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C21H44O2Si/c1-24(2,3)20-16-12-10-8-6-4-5-7-9-11-14-18-22-21-17-13-15-19-23-21/h21H,4-20H2,1-3H3
InChIKeyYLSPNEIASSODAD-UHFFFAOYSA-N
MW356.67 g/mol
LogP7.16
Rot. Bonds15

About trimethyl-[13-(oxan-2-yloxy)tridecyl]silane

trimethyl-[13-(oxan-2-yloxy)tridecyl]silane (PubChem CID 86200856) has the molecular formula C21H44O2Si and a molecular weight of 356.67 g/mol. Its IUPAC name is trimethyl-[13-(oxan-2-yloxy)tridecyl]silane.

Molecular Properties

Compound Nametrimethyl-[13-(oxan-2-yloxy)tridecyl]silane
PubChem CID86200856
Molecular FormulaC21H44O2Si
Molecular Weight356.67 g/mol
Exact Mass356.31
IUPAC Nametrimethyl-[13-(oxan-2-yloxy)tridecyl]silane
SMILESC[Si](C)(C)CCCCCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C21H44O2Si/c1-24(2,3)20-16-12-10-8-6-4-5-7-9-11-14-18-22-21-17-13-15-19-23-21/h21H,4-20H2,1-3H3
InChIKeyYLSPNEIASSODAD-UHFFFAOYSA-N
XLogP7.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.67
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trimethyl-[13-(oxan-2-yloxy)tridecyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-octacosoxyoxane
CID 11214102
trimethyl-[4-(oxan-2-yloxy)butoxy]silane
CID 11218840
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
2-(12-bromododecoxy)oxane
CID 11078592
2-(6-methylheptoxy)oxane
CID 139685112
Methylbis{6-[(oxan-2-yl)oxy]hexyl}silane
CID 78062562
2-(12-chlorododecoxy)oxane
CID 14014573
12-(oxan-2-yloxy)dodecan-1-amine
CID 170028710
2-(18-iodooctadecoxy)oxane
CID 86124950
2-(14-cyclobutyltetradecoxy)oxane
CID 151611436
2-(4,4-dimethylpentoxy)oxane
CID 59628221

Frequently Asked Questions

What is the IUPAC name of trimethyl-[13-(oxan-2-yloxy)tridecyl]silane?
The IUPAC name of trimethyl-[13-(oxan-2-yloxy)tridecyl]silane (CID 86200856) is trimethyl-[13-(oxan-2-yloxy)tridecyl]silane.
What is the SMILES notation for trimethyl-[13-(oxan-2-yloxy)tridecyl]silane?
The canonical SMILES for trimethyl-[13-(oxan-2-yloxy)tridecyl]silane is C[Si](C)(C)CCCCCCCCCCCCCOC1CCCCO1.
What is the InChIKey of trimethyl-[13-(oxan-2-yloxy)tridecyl]silane?
The InChIKey is YLSPNEIASSODAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O2Si/c1-24(2,3)20-16-12-10-8-6-4-5-7-9-11-14-18-22-21-17-13-15-19-23-21/h21H,4-20H2,1-3H3.
What are the key properties of trimethyl-[13-(oxan-2-yloxy)tridecyl]silane?
trimethyl-[13-(oxan-2-yloxy)tridecyl]silane has a molecular weight of 356.67 g/mol, XLogP of 7.16, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[13-(oxan-2-yloxy)tridecyl]silane is sourced from PubChem (CID 86200856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).