2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde

C14H20O4 — CID 155578590

IUPAC2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde
SMILESCOCCOCCOc1c(C)cc(C)cc1C=O
InChIInChI=1S/C14H20O4/c1-11-8-12(2)14(13(9-11)10-15)18-7-6-17-5-4-16-3/h8-10H,4-7H2,1-3H3
InChIKeyLRWUVASEHQTSFJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.16
Rot. Bonds8

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

2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde (PubChem CID 155578590) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde
PubChem CID155578590
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde
SMILESCOCCOCCOc1c(C)cc(C)cc1C=O
InChIInChI=1S/C14H20O4/c1-11-8-12(2)14(13(9-11)10-15)18-7-6-17-5-4-16-3/h8-10H,4-7H2,1-3H3
InChIKeyLRWUVASEHQTSFJ-UHFFFAOYSA-N
XLogP2.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.16
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]-3,4,5-trimethylbenzaldehyde
CID 155578596
5-bromo-2-[3-(2-methoxyethoxy)propoxy]-3-methylbenzaldehyde
CID 103409942
11-[2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylphenyl]-10,12-dioxabicyclo[7.3.3]pentadecane
CID 170010764
3-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 104563415
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethyl-5-propan-2-ylbenzene
CID 90397544
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
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
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]-3,5-dimethylbenzaldehyde?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde (CID 155578590) is 2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde is COCCOCCOc1c(C)cc(C)cc1C=O.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde?
The InChIKey is LRWUVASEHQTSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-11-8-12(2)14(13(9-11)10-15)18-7-6-17-5-4-16-3/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde?
2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde has a molecular weight of 252.31 g/mol, XLogP of 2.16, 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]-3,5-dimethylbenzaldehyde is sourced from PubChem (CID 155578590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).