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

C20H29N3O8 — CID 122546581

IUPAC2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]terephthalaldehyde
SMILES[N-]=[N+]=NCCOCCOCCOCCOCCOCCOc1cc(C=O)ccc1C=O
InChIInChI=1S/C20H29N3O8/c21-23-22-3-4-26-5-6-27-7-8-28-9-10-29-11-12-30-13-14-31-20-15-18(16-24)1-2-19(20)17-25/h1-2,15-17H,3-14H2
InChIKeyOJMPFFZNESQDCL-UHFFFAOYSA-N
MW439.47 g/mol
LogP2.08
Rot. Bonds21

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

2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]terephthalaldehyde (PubChem CID 122546581) has the molecular formula C20H29N3O8 and a molecular weight of 439.47 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]terephthalaldehyde.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]terephthalaldehyde
PubChem CID122546581
Molecular FormulaC20H29N3O8
Molecular Weight439.47 g/mol
Exact Mass439.20
IUPAC Name2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]terephthalaldehyde
SMILES[N-]=[N+]=NCCOCCOCCOCCOCCOCCOc1cc(C=O)ccc1C=O
InChIInChI=1S/C20H29N3O8/c21-23-22-3-4-26-5-6-27-7-8-28-9-10-29-11-12-30-13-14-31-20-15-18(16-24)1-2-19(20)17-25/h1-2,15-17H,3-14H2
InChIKeyOJMPFFZNESQDCL-UHFFFAOYSA-N
XLogP2.08
TPSA138.28 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]terephthalaldehyde 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

2-[2-(2-methoxyethoxy)ethoxy]terephthalaldehyde
CID 175893461
4-(3-azidopropoxy)-3-methoxybenzaldehyde
CID 54769990
4-(6-azidohexoxy)-3-fluorobenzaldehyde
CID 146226130
3-[2-[5-[2-(5-formyl-2-hydroxyphenoxy)ethoxy]pentoxy]ethoxy]-4-hydroxybenzaldehyde
CID 160989704
2,4-bis[2-[2-(2-iodoethoxy)ethoxy]ethoxy]benzaldehyde
CID 71402775
3-[2-[2-(5-formyl-2-nitrophenoxy)ethoxy]ethoxy]-4-nitrobenzaldehyde
CID 102336547
2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-[(E)-2-(4-bromophenyl)ethenyl]pyridine
CID 172537257
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 165429946
1-azido-2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796295
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796317
1-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanone
CID 167050498
4-methoxy-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzaldehyde
CID 61490686

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]terephthalaldehyde?
The IUPAC name of 2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]terephthalaldehyde (CID 122546581) is 2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]terephthalaldehyde.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]terephthalaldehyde?
The canonical SMILES for 2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]terephthalaldehyde is [N-]=[N+]=NCCOCCOCCOCCOCCOCCOc1cc(C=O)ccc1C=O.
What is the InChIKey of 2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]terephthalaldehyde?
The InChIKey is OJMPFFZNESQDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O8/c21-23-22-3-4-26-5-6-27-7-8-28-9-10-29-11-12-30-13-14-31-20-15-18(16-24)1-2-19(20)17-25/h1-2,15-17H,3-14H2.
What are the key properties of 2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]terephthalaldehyde?
2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]terephthalaldehyde has a molecular weight of 439.47 g/mol, XLogP of 2.08, 21 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]terephthalaldehyde is sourced from PubChem (CID 122546581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).