3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-4,5-dimethoxybenzaldehyde

C17H27NO7 — CID 87631522

IUPAC3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-4,5-dimethoxybenzaldehyde
SMILESCOc1cc(C=O)cc(OCCOCCOCCOCCN)c1OC
InChIInChI=1S/C17H27NO7/c1-20-15-11-14(13-19)12-16(17(15)21-2)25-10-9-24-8-7-23-6-5-22-4-3-18/h11-13H,3-10,18H2,1-2H3
InChIKeyDRIQSQDXSJDDPW-UHFFFAOYSA-N
MW357.40 g/mol
LogP0.90
Rot. Bonds15

About 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-4,5-dimethoxybenzaldehyde

3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-4,5-dimethoxybenzaldehyde (PubChem CID 87631522) has the molecular formula C17H27NO7 and a molecular weight of 357.40 g/mol. Its IUPAC name is 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-4,5-dimethoxybenzaldehyde.

Molecular Properties

Compound Name3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-4,5-dimethoxybenzaldehyde
PubChem CID87631522
Molecular FormulaC17H27NO7
Molecular Weight357.40 g/mol
Exact Mass357.18
IUPAC Name3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-4,5-dimethoxybenzaldehyde
SMILESCOc1cc(C=O)cc(OCCOCCOCCOCCN)c1OC
InChIInChI=1S/C17H27NO7/c1-20-15-11-14(13-19)12-16(17(15)21-2)25-10-9-24-8-7-23-6-5-22-4-3-18/h11-13H,3-10,18H2,1-2H3
InChIKeyDRIQSQDXSJDDPW-UHFFFAOYSA-N
XLogP0.90
TPSA98.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
3-(5-formyl-2,3-dimethoxyphenoxy)propane-1-sulfonic acid
CID 10711213
3-chloro-5-methoxy-4-(2-propoxyethoxy)benzaldehyde
CID 106453019
3,5-dimethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 5123930
3,4-dimethoxy-5-[3-(4-methylpiperazin-1-yl)propoxy]benzaldehyde
CID 10496079
3-ethyl-4,5-dimethoxybenzaldehyde
CID 88965998
3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103179915
4-[2-(dimethylamino)ethoxy]-3,5-dimethoxybenzaldehyde
CID 43516597
4-methoxy-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzaldehyde
CID 61490686
3,4-dimethoxy-5-(methoxymethyl)benzaldehyde
CID 117275838
4-[[4-[(4-formyl-2,6-dimethoxyphenoxy)methyl]-2,5-dimethoxyphenyl]methoxy]-3,5-dimethoxybenzaldehyde
CID 21037530
4-iodo-3,5-dimethoxybenzaldehyde
CID 11300800

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-4,5-dimethoxybenzaldehyde?
The IUPAC name of 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-4,5-dimethoxybenzaldehyde (CID 87631522) is 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-4,5-dimethoxybenzaldehyde.
What is the SMILES notation for 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-4,5-dimethoxybenzaldehyde?
The canonical SMILES for 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-4,5-dimethoxybenzaldehyde is COc1cc(C=O)cc(OCCOCCOCCOCCN)c1OC.
What is the InChIKey of 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-4,5-dimethoxybenzaldehyde?
The InChIKey is DRIQSQDXSJDDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO7/c1-20-15-11-14(13-19)12-16(17(15)21-2)25-10-9-24-8-7-23-6-5-22-4-3-18/h11-13H,3-10,18H2,1-2H3.
What are the key properties of 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-4,5-dimethoxybenzaldehyde?
3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-4,5-dimethoxybenzaldehyde has a molecular weight of 357.40 g/mol, XLogP of 0.90, 15 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-4,5-dimethoxybenzaldehyde is sourced from PubChem (CID 87631522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).