dodeca-9,11-dienal

C12H20O — CID 543135

IUPACdodeca-9,11-dienal
SMILESC=CC=CCCCCCCCC=O
InChIInChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-4,12H,1,5-11H2
InChIKeyQQGSJQOOBIWRBK-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.66
Rot. Bonds9

About dodeca-9,11-dienal

dodeca-9,11-dienal (PubChem CID 543135) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is dodeca-9,11-dienal.

Molecular Properties

Compound Namedodeca-9,11-dienal
PubChem CID543135
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Namedodeca-9,11-dienal
SMILESC=CC=CCCCCCCCC=O
InChIInChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-4,12H,1,5-11H2
InChIKeyQQGSJQOOBIWRBK-UHFFFAOYSA-N
XLogP3.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze dodeca-9,11-dienal 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

triaconta-9,17,19-trienedial
CID 54176799
dodec-2-enedial
CID 54372755
N-[(4E)-hepta-4,6-dienyl]formamide
CID 11521087
10-iododeca-1,3-diene
CID 168861651
(14E)-heptadeca-14,16-dien-1-ol
CID 163204911
deca-7,9-dien-1-ol
CID 54432323
heptadeca-12,16-dienal
CID 141026254
heptadeca-14,16-dien-1-ol
CID 163204876
pentadeca-12,14-dien-1-ol
CID 163204807
pentadecanedial
CID 22887412
(10E,12Z)-hexadeca-10,12-dienal
CID 10922550
(11E)-hexadeca-11,13-dienal
CID 173074730

Frequently Asked Questions

What is the IUPAC name of dodeca-9,11-dienal?
The IUPAC name of dodeca-9,11-dienal (CID 543135) is dodeca-9,11-dienal.
What is the SMILES notation for dodeca-9,11-dienal?
The canonical SMILES for dodeca-9,11-dienal is C=CC=CCCCCCCCC=O.
What is the InChIKey of dodeca-9,11-dienal?
The InChIKey is QQGSJQOOBIWRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-4,12H,1,5-11H2.
What are the key properties of dodeca-9,11-dienal?
dodeca-9,11-dienal has a molecular weight of 180.29 g/mol, XLogP of 3.66, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodeca-9,11-dienal is sourced from PubChem (CID 543135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).