2-[2-(2-methoxyethoxy)ethoxy]-3,4,5-trimethylbenzaldehyde

C15H22O4 — CID 155578596

IUPAC2-[2-(2-methoxyethoxy)ethoxy]-3,4,5-trimethylbenzaldehyde
SMILESCOCCOCCOc1c(C=O)cc(C)c(C)c1C
InChIInChI=1S/C15H22O4/c1-11-9-14(10-16)15(13(3)12(11)2)19-8-7-18-6-5-17-4/h9-10H,5-8H2,1-4H3
InChIKeyRXGFYCUKDXJNQT-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.47
Rot. Bonds8

About 2-[2-(2-methoxyethoxy)ethoxy]-3,4,5-trimethylbenzaldehyde

2-[2-(2-methoxyethoxy)ethoxy]-3,4,5-trimethylbenzaldehyde (PubChem CID 155578596) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]-3,4,5-trimethylbenzaldehyde.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]-3,4,5-trimethylbenzaldehyde
PubChem CID155578596
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]-3,4,5-trimethylbenzaldehyde
SMILESCOCCOCCOc1c(C=O)cc(C)c(C)c1C
InChIInChI=1S/C15H22O4/c1-11-9-14(10-16)15(13(3)12(11)2)19-8-7-18-6-5-17-4/h9-10H,5-8H2,1-4H3
InChIKeyRXGFYCUKDXJNQT-UHFFFAOYSA-N
XLogP2.47
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde
CID 155578590
5-bromo-2-[3-(2-methoxyethoxy)propoxy]-3-methylbenzaldehyde
CID 103409942
3-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 104563415
3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103179950
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethyl-5-propan-2-ylbenzene
CID 90397544
2,3-dimethoxy-4,5-dimethylbenzaldehyde
CID 66545575
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbenzaldehyde
CID 104562818
2-[2-(2-methoxyethoxy)ethoxy]terephthalaldehyde
CID 175893461
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene
CID 83057558
5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-methylbenzoic acid
CID 112620899
3,5-dimethyl-4-(2-propoxyethoxy)benzaldehyde
CID 106453020
3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]cyclobut-3-ene-1,2-dione
CID 169054321

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-3,4,5-trimethylbenzaldehyde?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-3,4,5-trimethylbenzaldehyde (CID 155578596) is 2-[2-(2-methoxyethoxy)ethoxy]-3,4,5-trimethylbenzaldehyde.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]-3,4,5-trimethylbenzaldehyde?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]-3,4,5-trimethylbenzaldehyde is COCCOCCOc1c(C=O)cc(C)c(C)c1C.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]-3,4,5-trimethylbenzaldehyde?
The InChIKey is RXGFYCUKDXJNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-11-9-14(10-16)15(13(3)12(11)2)19-8-7-18-6-5-17-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]-3,4,5-trimethylbenzaldehyde?
2-[2-(2-methoxyethoxy)ethoxy]-3,4,5-trimethylbenzaldehyde has a molecular weight of 266.34 g/mol, XLogP of 2.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]-3,4,5-trimethylbenzaldehyde is sourced from PubChem (CID 155578596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).