tert-butyl-dimethyl-(8-thiophen-2-yloctoxy)silane

C18H34OSSi — CID 140913096

IUPACtert-butyl-dimethyl-(8-thiophen-2-yloctoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCCc1cccs1
InChIInChI=1S/C18H34OSSi/c1-18(2,3)21(4,5)19-15-11-9-7-6-8-10-13-17-14-12-16-20-17/h12,14,16H,6-11,13,15H2,1-5H3
InChIKeyLKQUDUOYQCQPBT-UHFFFAOYSA-N
MW326.62 g/mol
LogP6.65
Rot. Bonds10

About tert-butyl-dimethyl-(8-thiophen-2-yloctoxy)silane

tert-butyl-dimethyl-(8-thiophen-2-yloctoxy)silane (PubChem CID 140913096) has the molecular formula C18H34OSSi and a molecular weight of 326.62 g/mol. Its IUPAC name is tert-butyl-dimethyl-(8-thiophen-2-yloctoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(8-thiophen-2-yloctoxy)silane
PubChem CID140913096
Molecular FormulaC18H34OSSi
Molecular Weight326.62 g/mol
Exact Mass326.21
IUPAC Nametert-butyl-dimethyl-(8-thiophen-2-yloctoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCCc1cccs1
InChIInChI=1S/C18H34OSSi/c1-18(2,3)21(4,5)19-15-11-9-7-6-8-10-13-17-14-12-16-20-17/h12,14,16H,6-11,13,15H2,1-5H3
InChIKeyLKQUDUOYQCQPBT-UHFFFAOYSA-N
XLogP6.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.62
LogP ≤ 56.65
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 tert-butyl-dimethyl-(8-thiophen-2-yloctoxy)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-(8-methoxyoctyl)thiophene
CID 139537837
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
2-(5-pentoxypentyl)thiophene
CID 91586139
trimethoxy(5-thiophen-2-ylpentyl)silane
CID 139649685
methane;2-undecylthiophene
CID 175504380
2-methyl-6-thiophen-2-ylhexan-2-ol
CID 96656971
tert-butyl-dimethyl-[6-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]hexoxy]silane
CID 59207290
4-thiophen-2-ylbutyl methanesulfonate
CID 54434869
tert-butyl-dimethyl-(6-trityloxyhexoxy)silane
CID 16753413
10-thiophen-2-yldecan-1-ol
CID 22992199

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(8-thiophen-2-yloctoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(8-thiophen-2-yloctoxy)silane (CID 140913096) is tert-butyl-dimethyl-(8-thiophen-2-yloctoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(8-thiophen-2-yloctoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(8-thiophen-2-yloctoxy)silane is CC(C)(C)[Si](C)(C)OCCCCCCCCc1cccs1.
What is the InChIKey of tert-butyl-dimethyl-(8-thiophen-2-yloctoxy)silane?
The InChIKey is LKQUDUOYQCQPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34OSSi/c1-18(2,3)21(4,5)19-15-11-9-7-6-8-10-13-17-14-12-16-20-17/h12,14,16H,6-11,13,15H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(8-thiophen-2-yloctoxy)silane?
tert-butyl-dimethyl-(8-thiophen-2-yloctoxy)silane has a molecular weight of 326.62 g/mol, XLogP of 6.65, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(8-thiophen-2-yloctoxy)silane is sourced from PubChem (CID 140913096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).