2-[2-(2-methoxyethoxy)ethoxy]terephthalaldehyde

C13H16O5 — CID 175893461

IUPAC2-[2-(2-methoxyethoxy)ethoxy]terephthalaldehyde
SMILESCOCCOCCOc1cc(C=O)ccc1C=O
InChIInChI=1S/C13H16O5/c1-16-4-5-17-6-7-18-13-8-11(9-14)2-3-12(13)10-15/h2-3,8-10H,4-7H2,1H3
InChIKeyFHOKKUCKPSYTNU-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.35
Rot. Bonds9

About 2-[2-(2-methoxyethoxy)ethoxy]terephthalaldehyde

2-[2-(2-methoxyethoxy)ethoxy]terephthalaldehyde (PubChem CID 175893461) has the molecular formula C13H16O5 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]terephthalaldehyde.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]terephthalaldehyde
PubChem CID175893461
Molecular FormulaC13H16O5
Molecular Weight252.27 g/mol
Exact Mass252.10
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]terephthalaldehyde
SMILESCOCCOCCOc1cc(C=O)ccc1C=O
InChIInChI=1S/C13H16O5/c1-16-4-5-17-6-7-18-13-8-11(9-14)2-3-12(13)10-15/h2-3,8-10H,4-7H2,1H3
InChIKeyFHOKKUCKPSYTNU-UHFFFAOYSA-N
XLogP1.35
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.35
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

4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbenzaldehyde
CID 104562818
2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]terephthalaldehyde
CID 122546581
3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103179915
3-iodo-4-(2-methoxyethoxy)benzaldehyde
CID 169488676
3-bromo-4-(2-methoxyethoxy)benzaldehyde
CID 60698673
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 87722471
2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxybenzaldehyde
CID 61269601
4-methoxy-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzaldehyde
CID 61490686
2,4-bis[2-[2-(2-iodoethoxy)ethoxy]ethoxy]benzaldehyde
CID 71402775
4-methoxy-2-[2-(3-methylbutoxy)ethoxy]benzaldehyde
CID 61060048
3-[2-[2-(5-formyl-2-nitrophenoxy)ethoxy]ethoxy]-4-nitrobenzaldehyde
CID 102336547
3-[2-[5-[2-(5-formyl-2-hydroxyphenoxy)ethoxy]pentoxy]ethoxy]-4-hydroxybenzaldehyde
CID 160989704

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]terephthalaldehyde?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]terephthalaldehyde (CID 175893461) is 2-[2-(2-methoxyethoxy)ethoxy]terephthalaldehyde.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]terephthalaldehyde?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]terephthalaldehyde is COCCOCCOc1cc(C=O)ccc1C=O.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]terephthalaldehyde?
The InChIKey is FHOKKUCKPSYTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O5/c1-16-4-5-17-6-7-18-13-8-11(9-14)2-3-12(13)10-15/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]terephthalaldehyde?
2-[2-(2-methoxyethoxy)ethoxy]terephthalaldehyde has a molecular weight of 252.27 g/mol, XLogP of 1.35, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]terephthalaldehyde is sourced from PubChem (CID 175893461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).