8-oxodecanal

C10H18O2 — CID 118225653

IUPAC8-oxodecanal
SMILESCCC(=O)CCCCCCC=O
InChIInChI=1S/C10H18O2/c1-2-10(12)8-6-4-3-5-7-9-11/h9H,2-8H2,1H3
InChIKeyOGWKYKRSVOJPMN-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.51
Rot. Bonds8

About 8-oxodecanal

8-oxodecanal (PubChem CID 118225653) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 8-oxodecanal.

Molecular Properties

Compound Name8-oxodecanal
PubChem CID118225653
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name8-oxodecanal
SMILESCCC(=O)CCCCCCC=O
InChIInChI=1S/C10H18O2/c1-2-10(12)8-6-4-3-5-7-9-11/h9H,2-8H2,1H3
InChIKeyOGWKYKRSVOJPMN-UHFFFAOYSA-N
XLogP2.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.51
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 8-oxodecanal 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

9-oxotetradecanal
CID 13272684
19-oxodocosanal
CID 54396259
(E)-undec-9-en-3-one
CID 22074109
methane;undecane-3,9-dione
CID 158816586
10-oxododec-2-enal
CID 175604866
pentadec-10-en-3-one
CID 175973732
4-oxohexanal;zirconium
CID 175550400
6,19-dioxononadecanoic acid
CID 174486192
undec-1-ene-1,9-dione
CID 175425395
1-hydroxydodecane-2,10-dione
CID 158814981
nonanoyl 9-oxononanoate
CID 134607254
bis(6-oxohexanoyl) dodecanedioate
CID 57274603

Frequently Asked Questions

What is the IUPAC name of 8-oxodecanal?
The IUPAC name of 8-oxodecanal (CID 118225653) is 8-oxodecanal.
What is the SMILES notation for 8-oxodecanal?
The canonical SMILES for 8-oxodecanal is CCC(=O)CCCCCCC=O.
What is the InChIKey of 8-oxodecanal?
The InChIKey is OGWKYKRSVOJPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-10(12)8-6-4-3-5-7-9-11/h9H,2-8H2,1H3.
What are the key properties of 8-oxodecanal?
8-oxodecanal has a molecular weight of 170.25 g/mol, XLogP of 2.51, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxodecanal is sourced from PubChem (CID 118225653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).