5-[2-(2-methoxyethoxy)ethoxy]thiophene-2-carbaldehyde

C10H14O4S — CID 104562854

IUPAC5-[2-(2-methoxyethoxy)ethoxy]thiophene-2-carbaldehyde
SMILESCOCCOCCOc1ccc(C=O)s1
InChIInChI=1S/C10H14O4S/c1-12-4-5-13-6-7-14-10-3-2-9(8-11)15-10/h2-3,8H,4-7H2,1H3
InChIKeyCIKCSSZNESKRPR-UHFFFAOYSA-N
MW230.28 g/mol
LogP1.60
Rot. Bonds8

About 5-[2-(2-methoxyethoxy)ethoxy]thiophene-2-carbaldehyde

5-[2-(2-methoxyethoxy)ethoxy]thiophene-2-carbaldehyde (PubChem CID 104562854) has the molecular formula C10H14O4S and a molecular weight of 230.28 g/mol. Its IUPAC name is 5-[2-(2-methoxyethoxy)ethoxy]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-(2-methoxyethoxy)ethoxy]thiophene-2-carbaldehyde
PubChem CID104562854
Molecular FormulaC10H14O4S
Molecular Weight230.28 g/mol
Exact Mass230.06
IUPAC Name5-[2-(2-methoxyethoxy)ethoxy]thiophene-2-carbaldehyde
SMILESCOCCOCCOc1ccc(C=O)s1
InChIInChI=1S/C10H14O4S/c1-12-4-5-13-6-7-14-10-3-2-9(8-11)15-10/h2-3,8H,4-7H2,1H3
InChIKeyCIKCSSZNESKRPR-UHFFFAOYSA-N
XLogP1.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-undec-10-enoxythiophene-2-carbaldehyde
CID 21450430
2,5-bis[2-(2-ethoxyethoxy)ethoxy]thiophene
CID 157485906
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 87722471
2-[2-(2-methoxyethoxy)ethoxy]terephthalaldehyde
CID 175893461
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbenzaldehyde
CID 104562818
5-[4-[2-(2-methoxyethoxy)ethyl]thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde
CID 138454577
2-[2-(2-methoxyethoxy)ethoxy]acetaldehyde
CID 10607071
3-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 104563415
2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzaldehyde
CID 118455142
2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde
CID 155578590
4-[5-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]-7-thiophen-2-yl-2,1,3-benzothiadiazole
CID 118150181
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyethoxy)ethoxy]thiophene-2-carbaldehyde?
The IUPAC name of 5-[2-(2-methoxyethoxy)ethoxy]thiophene-2-carbaldehyde (CID 104562854) is 5-[2-(2-methoxyethoxy)ethoxy]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[2-(2-methoxyethoxy)ethoxy]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[2-(2-methoxyethoxy)ethoxy]thiophene-2-carbaldehyde is COCCOCCOc1ccc(C=O)s1.
What is the InChIKey of 5-[2-(2-methoxyethoxy)ethoxy]thiophene-2-carbaldehyde?
The InChIKey is CIKCSSZNESKRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4S/c1-12-4-5-13-6-7-14-10-3-2-9(8-11)15-10/h2-3,8H,4-7H2,1H3.
What are the key properties of 5-[2-(2-methoxyethoxy)ethoxy]thiophene-2-carbaldehyde?
5-[2-(2-methoxyethoxy)ethoxy]thiophene-2-carbaldehyde has a molecular weight of 230.28 g/mol, XLogP of 1.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyethoxy)ethoxy]thiophene-2-carbaldehyde is sourced from PubChem (CID 104562854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).