4-(9-oxononoxymethyl)benzaldehyde

C17H24O3 — CID 10754947

IUPAC4-(9-oxononoxymethyl)benzaldehyde
SMILESO=CCCCCCCCCOCc1ccc(C=O)cc1
InChIInChI=1S/C17H24O3/c18-12-6-4-2-1-3-5-7-13-20-15-17-10-8-16(14-19)9-11-17/h8-12,14H,1-7,13,15H2
InChIKeyLHCVDZCWPYLHCY-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.95
Rot. Bonds12

About 4-(9-oxononoxymethyl)benzaldehyde

4-(9-oxononoxymethyl)benzaldehyde (PubChem CID 10754947) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(9-oxononoxymethyl)benzaldehyde.

Molecular Properties

Compound Name4-(9-oxononoxymethyl)benzaldehyde
PubChem CID10754947
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name4-(9-oxononoxymethyl)benzaldehyde
SMILESO=CCCCCCCCCOCc1ccc(C=O)cc1
InChIInChI=1S/C17H24O3/c18-12-6-4-2-1-3-5-7-13-20-15-17-10-8-16(14-19)9-11-17/h8-12,14H,1-7,13,15H2
InChIKeyLHCVDZCWPYLHCY-UHFFFAOYSA-N
XLogP3.95
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(9-oxononoxymethyl)benzaldehyde 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

14-[(4-methoxyphenyl)methoxy]tetradecanal
CID 25186279
4-[2-[bis[2-[(4-formylphenyl)methoxy]ethyl]amino]ethoxymethyl]benzaldehyde
CID 71489124
16-(16-oxohexadecoxy)hexadecanal
CID 87509641
10-(10-oxodecoxy)decanal
CID 151900645
4-(3-oxopropyl)benzaldehyde
CID 12927813
(7S)-7,10-bis(phenylmethoxy)decanal
CID 25269716
10-phenylmethoxydec-4-ynal
CID 10988968
4-(ethoxymethoxymethyl)benzaldehyde
CID 170993765
20-phenylmethoxyicos-10-enoxymethylbenzene
CID 54404919
3-(5-phenylmethoxypentoxy)benzaldehyde
CID 86637621
5-[[3-(trifluoromethyl)phenyl]methoxy]pentanal
CID 88661890
methanol;2-methoxy-2-methylpropane;4-(11-oxoundecoxy)benzaldehyde
CID 178135868

Frequently Asked Questions

What is the IUPAC name of 4-(9-oxononoxymethyl)benzaldehyde?
The IUPAC name of 4-(9-oxononoxymethyl)benzaldehyde (CID 10754947) is 4-(9-oxononoxymethyl)benzaldehyde.
What is the SMILES notation for 4-(9-oxononoxymethyl)benzaldehyde?
The canonical SMILES for 4-(9-oxononoxymethyl)benzaldehyde is O=CCCCCCCCCOCc1ccc(C=O)cc1.
What is the InChIKey of 4-(9-oxononoxymethyl)benzaldehyde?
The InChIKey is LHCVDZCWPYLHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c18-12-6-4-2-1-3-5-7-13-20-15-17-10-8-16(14-19)9-11-17/h8-12,14H,1-7,13,15H2.
What are the key properties of 4-(9-oxononoxymethyl)benzaldehyde?
4-(9-oxononoxymethyl)benzaldehyde has a molecular weight of 276.38 g/mol, XLogP of 3.95, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-oxononoxymethyl)benzaldehyde is sourced from PubChem (CID 10754947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).