2-(diethoxymethyl)-3-methylthiophene

C10H16O2S — CID 146004797

IUPAC2-(diethoxymethyl)-3-methylthiophene
SMILESCCOC(OCC)c1sccc1C
InChIInChI=1S/C10H16O2S/c1-4-11-10(12-5-2)9-8(3)6-7-13-9/h6-7,10H,4-5H2,1-3H3
InChIKeySLBUGSCPCYKVMU-UHFFFAOYSA-N
MW200.30 g/mol
LogP3.13
Rot. Bonds5

About 2-(diethoxymethyl)-3-methylthiophene

2-(diethoxymethyl)-3-methylthiophene (PubChem CID 146004797) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is 2-(diethoxymethyl)-3-methylthiophene.

Molecular Properties

Compound Name2-(diethoxymethyl)-3-methylthiophene
PubChem CID146004797
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name2-(diethoxymethyl)-3-methylthiophene
SMILESCCOC(OCC)c1sccc1C
InChIInChI=1S/C10H16O2S/c1-4-11-10(12-5-2)9-8(3)6-7-13-9/h6-7,10H,4-5H2,1-3H3
InChIKeySLBUGSCPCYKVMU-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-amino-2-(3-methylthiophen-2-yl)acetate
CID 4654193
N-ethoxy-1-(3-methylthiophen-2-yl)ethanamine
CID 82709754
(1S)-2-methyl-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171222735
2-(3-methylthiophen-2-yl)butane-1-thiol
CID 123457832
3-methyl-2-pentan-2-ylthiophene
CID 59774172
(1R)-1-(3-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride
CID 171203150
2-(3-ethoxycyclobutyl)-1-(3-methylthiophen-2-yl)ethanol
CID 103165435
2-cyclohexyl-2-ethoxy-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 116772255
1-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]propan-2-amine
CID 63992692
2-methoxy-1-(3-methylthiophen-2-yl)butan-1-ol
CID 116710769
1-amino-1-(3-methylthiophen-2-yl)butan-2-ol
CID 130144766
3-methyl-2-(4-methylpentan-2-yl)thiophene
CID 58489062

Frequently Asked Questions

What is the IUPAC name of 2-(diethoxymethyl)-3-methylthiophene?
The IUPAC name of 2-(diethoxymethyl)-3-methylthiophene (CID 146004797) is 2-(diethoxymethyl)-3-methylthiophene.
What is the SMILES notation for 2-(diethoxymethyl)-3-methylthiophene?
The canonical SMILES for 2-(diethoxymethyl)-3-methylthiophene is CCOC(OCC)c1sccc1C.
What is the InChIKey of 2-(diethoxymethyl)-3-methylthiophene?
The InChIKey is SLBUGSCPCYKVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c1-4-11-10(12-5-2)9-8(3)6-7-13-9/h6-7,10H,4-5H2,1-3H3.
What are the key properties of 2-(diethoxymethyl)-3-methylthiophene?
2-(diethoxymethyl)-3-methylthiophene has a molecular weight of 200.30 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxymethyl)-3-methylthiophene is sourced from PubChem (CID 146004797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).