(3,4-dibutoxy-5-methylthiophen-2-yl)-trimethylsilane

C16H30O2SSi — CID 59664288

IUPAC(3,4-dibutoxy-5-methylthiophen-2-yl)-trimethylsilane
SMILESCCCCOc1c(C)sc([Si](C)(C)C)c1OCCCC
InChIInChI=1S/C16H30O2SSi/c1-7-9-11-17-14-13(3)19-16(20(4,5)6)15(14)18-12-10-8-2/h7-12H2,1-6H3
InChIKeySCLLJAYKLAYUPQ-UHFFFAOYSA-N
MW314.57 g/mol
LogP4.96
Rot. Bonds9

About (3,4-dibutoxy-5-methylthiophen-2-yl)-trimethylsilane

(3,4-dibutoxy-5-methylthiophen-2-yl)-trimethylsilane (PubChem CID 59664288) has the molecular formula C16H30O2SSi and a molecular weight of 314.57 g/mol. Its IUPAC name is (3,4-dibutoxy-5-methylthiophen-2-yl)-trimethylsilane.

Molecular Properties

Compound Name(3,4-dibutoxy-5-methylthiophen-2-yl)-trimethylsilane
PubChem CID59664288
Molecular FormulaC16H30O2SSi
Molecular Weight314.57 g/mol
Exact Mass314.17
IUPAC Name(3,4-dibutoxy-5-methylthiophen-2-yl)-trimethylsilane
SMILESCCCCOc1c(C)sc([Si](C)(C)C)c1OCCCC
InChIInChI=1S/C16H30O2SSi/c1-7-9-11-17-14-13(3)19-16(20(4,5)6)15(14)18-12-10-8-2/h7-12H2,1-6H3
InChIKeySCLLJAYKLAYUPQ-UHFFFAOYSA-N
XLogP4.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.57
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3,4-dibutoxy-5-methylthiophen-2-yl)-trimethylsilane 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

5,7-Dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 18716605
k01Prr15 1a
CID 101549569
2,5-Dimethyl-3,4-bis(3,3,3-trifluoropropoxy)thiophene
CID 145344251
[(Z)-4-[3,4-dimethoxy-5-[(Z)-1-methylsulfanyl-4-trimethylsilylbut-1-en-3-ynyl]thiophen-2-yl]-4-methylsulfanylbut-3-en-1-ynyl]-trimethylsilane
CID 168305922
trimethyl-[(Z)-4-methylsulfanyl-4-[5-[(Z)-1-methylsulfanyl-4-trimethylsilylbut-1-en-3-ynyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]but-3-en-1-ynyl]silane
CID 168305923
3,4-Dimethoxy-2,5-dimethylthiophene
CID 15640918
5,7-Diethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 18346348
5,7-Diethyl-2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 18346349
5,7-Diethyl-3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 18346350
2,3,5,7-Tetramethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 18716601
3,5,7-Trimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 18716603
3,4-dibutoxy-2-methyl-5-[(E)-prop-1-enyl]thiophene
CID 20583930

Frequently Asked Questions

What is the IUPAC name of (3,4-dibutoxy-5-methylthiophen-2-yl)-trimethylsilane?
The IUPAC name of (3,4-dibutoxy-5-methylthiophen-2-yl)-trimethylsilane (CID 59664288) is (3,4-dibutoxy-5-methylthiophen-2-yl)-trimethylsilane.
What is the SMILES notation for (3,4-dibutoxy-5-methylthiophen-2-yl)-trimethylsilane?
The canonical SMILES for (3,4-dibutoxy-5-methylthiophen-2-yl)-trimethylsilane is CCCCOc1c(C)sc([Si](C)(C)C)c1OCCCC.
What is the InChIKey of (3,4-dibutoxy-5-methylthiophen-2-yl)-trimethylsilane?
The InChIKey is SCLLJAYKLAYUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2SSi/c1-7-9-11-17-14-13(3)19-16(20(4,5)6)15(14)18-12-10-8-2/h7-12H2,1-6H3.
What are the key properties of (3,4-dibutoxy-5-methylthiophen-2-yl)-trimethylsilane?
(3,4-dibutoxy-5-methylthiophen-2-yl)-trimethylsilane has a molecular weight of 314.57 g/mol, XLogP of 4.96, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dibutoxy-5-methylthiophen-2-yl)-trimethylsilane is sourced from PubChem (CID 59664288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).