2-[2-(dimethylamino)ethoxy]-5-(oxan-2-yloxy)benzaldehyde

C16H23NO4 — CID 87737132

IUPAC2-[2-(dimethylamino)ethoxy]-5-(oxan-2-yloxy)benzaldehyde
SMILESCN(C)CCOc1ccc(OC2CCCCO2)cc1C=O
InChIInChI=1S/C16H23NO4/c1-17(2)8-10-19-15-7-6-14(11-13(15)12-18)21-16-5-3-4-9-20-16/h6-7,11-12,16H,3-5,8-10H2,1-2H3
InChIKeyWPONGJUTWWVWRW-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.34
Rot. Bonds7

About 2-[2-(dimethylamino)ethoxy]-5-(oxan-2-yloxy)benzaldehyde

2-[2-(dimethylamino)ethoxy]-5-(oxan-2-yloxy)benzaldehyde (PubChem CID 87737132) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-5-(oxan-2-yloxy)benzaldehyde.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-5-(oxan-2-yloxy)benzaldehyde
PubChem CID87737132
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[2-(dimethylamino)ethoxy]-5-(oxan-2-yloxy)benzaldehyde
SMILESCN(C)CCOc1ccc(OC2CCCCO2)cc1C=O
InChIInChI=1S/C16H23NO4/c1-17(2)8-10-19-15-7-6-14(11-13(15)12-18)21-16-5-3-4-9-20-16/h6-7,11-12,16H,3-5,8-10H2,1-2H3
InChIKeyWPONGJUTWWVWRW-UHFFFAOYSA-N
XLogP2.34
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-5-(oxan-2-yloxy)benzaldehyde?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-5-(oxan-2-yloxy)benzaldehyde (CID 87737132) is 2-[2-(dimethylamino)ethoxy]-5-(oxan-2-yloxy)benzaldehyde.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-5-(oxan-2-yloxy)benzaldehyde?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-5-(oxan-2-yloxy)benzaldehyde is CN(C)CCOc1ccc(OC2CCCCO2)cc1C=O.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-5-(oxan-2-yloxy)benzaldehyde?
The InChIKey is WPONGJUTWWVWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-17(2)8-10-19-15-7-6-14(11-13(15)12-18)21-16-5-3-4-9-20-16/h6-7,11-12,16H,3-5,8-10H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethoxy]-5-(oxan-2-yloxy)benzaldehyde?
2-[2-(dimethylamino)ethoxy]-5-(oxan-2-yloxy)benzaldehyde has a molecular weight of 293.36 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-5-(oxan-2-yloxy)benzaldehyde is sourced from PubChem (CID 87737132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).