9-oxotetradecanal

C14H26O2 — CID 13272684

IUPAC9-oxotetradecanal
SMILESCCCCCC(=O)CCCCCCCC=O
InChIInChI=1S/C14H26O2/c1-2-3-8-11-14(16)12-9-6-4-5-7-10-13-15/h13H,2-12H2,1H3
InChIKeyDIXBVJRABVIZIU-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.07
Rot. Bonds12

About 9-oxotetradecanal

9-oxotetradecanal (PubChem CID 13272684) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 9-oxotetradecanal.

Molecular Properties

Compound Name9-oxotetradecanal
PubChem CID13272684
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name9-oxotetradecanal
SMILESCCCCCC(=O)CCCCCCCC=O
InChIInChI=1S/C14H26O2/c1-2-3-8-11-14(16)12-9-6-4-5-7-10-13-15/h13H,2-12H2,1H3
InChIKeyDIXBVJRABVIZIU-UHFFFAOYSA-N
XLogP4.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-oxotetradecanal 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

19-oxodocosanal
CID 54396259
(E)-triacont-15-ene-8,23-dione
CID 11849500
8-oxodecanal
CID 118225653
carbonic acid;dodecanal
CID 87947916
formic acid;henicosane-7,12-dione
CID 175044766
nonatriacontane-8,29-dione
CID 150237018
pentacosane-7,19-dione
CID 139254510
octacosan-8-one
CID 86052342
decanal;decane
CID 157361056
nonadecan-7-one
CID 12913434
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888

Frequently Asked Questions

What is the IUPAC name of 9-oxotetradecanal?
The IUPAC name of 9-oxotetradecanal (CID 13272684) is 9-oxotetradecanal.
What is the SMILES notation for 9-oxotetradecanal?
The canonical SMILES for 9-oxotetradecanal is CCCCCC(=O)CCCCCCCC=O.
What is the InChIKey of 9-oxotetradecanal?
The InChIKey is DIXBVJRABVIZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-2-3-8-11-14(16)12-9-6-4-5-7-10-13-15/h13H,2-12H2,1H3.
What are the key properties of 9-oxotetradecanal?
9-oxotetradecanal has a molecular weight of 226.36 g/mol, XLogP of 4.07, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxotetradecanal is sourced from PubChem (CID 13272684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).