2-(3,3-diethoxypropoxymethyl)thiophene

C12H20O3S — CID 63630148

IUPAC2-(3,3-diethoxypropoxymethyl)thiophene
SMILESCCOC(CCOCc1cccs1)OCC
InChIInChI=1S/C12H20O3S/c1-3-14-12(15-4-2)7-8-13-10-11-6-5-9-16-11/h5-6,9,12H,3-4,7-8,10H2,1-2H3
InChIKeyAPIDMDBPFHZFNN-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.05
Rot. Bonds9

About 2-(3,3-diethoxypropoxymethyl)thiophene

2-(3,3-diethoxypropoxymethyl)thiophene (PubChem CID 63630148) has the molecular formula C12H20O3S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-(3,3-diethoxypropoxymethyl)thiophene.

Molecular Properties

Compound Name2-(3,3-diethoxypropoxymethyl)thiophene
PubChem CID63630148
Molecular FormulaC12H20O3S
Molecular Weight244.36 g/mol
Exact Mass244.11
IUPAC Name2-(3,3-diethoxypropoxymethyl)thiophene
SMILESCCOC(CCOCc1cccs1)OCC
InChIInChI=1S/C12H20O3S/c1-3-14-12(15-4-2)7-8-13-10-11-6-5-9-16-11/h5-6,9,12H,3-4,7-8,10H2,1-2H3
InChIKeyAPIDMDBPFHZFNN-UHFFFAOYSA-N
XLogP3.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(ethoxymethyl)thiophene
CID 12699283
2-(hexoxymethyl)thiophene
CID 57182867
trimethyl-[2-(thiophen-2-ylmethoxy)ethyl]silane
CID 10420808
N-(3,3-diethoxypropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 55249177
2,2-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine
CID 63619196
2,2-diethoxy-N-methyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 79486334
6-(thiophen-2-ylmethoxy)hexan-3-one
CID 106802084
1-bromo-3-(3,3-diethoxypropoxymethyl)benzene
CID 82826684
3-(thiophen-2-ylmethoxymethyl)pentan-3-amine
CID 64571428
5-(thiophen-2-ylmethoxy)pentan-2-one
CID 62033282
ethyl 2-(thiophen-2-ylmethoxy)acetate
CID 60730801
2-(methoxymethyl)thiophene
CID 10240820

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diethoxypropoxymethyl)thiophene?
The IUPAC name of 2-(3,3-diethoxypropoxymethyl)thiophene (CID 63630148) is 2-(3,3-diethoxypropoxymethyl)thiophene.
What is the SMILES notation for 2-(3,3-diethoxypropoxymethyl)thiophene?
The canonical SMILES for 2-(3,3-diethoxypropoxymethyl)thiophene is CCOC(CCOCc1cccs1)OCC.
What is the InChIKey of 2-(3,3-diethoxypropoxymethyl)thiophene?
The InChIKey is APIDMDBPFHZFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3S/c1-3-14-12(15-4-2)7-8-13-10-11-6-5-9-16-11/h5-6,9,12H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-(3,3-diethoxypropoxymethyl)thiophene?
2-(3,3-diethoxypropoxymethyl)thiophene has a molecular weight of 244.36 g/mol, XLogP of 3.05, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-diethoxypropoxymethyl)thiophene is sourced from PubChem (CID 63630148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).