dodecanal

C12H24O — CID 8194

IUPACdodecanal
SMILESCCCCCCCCCCCC=O
InChIInChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3
InChIKeyHFJRKMMYBMWEAD-UHFFFAOYSA-N
MW184.32 g/mol
LogP4.11
Rot. Bonds10

About dodecanal

dodecanal (PubChem CID 8194) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is dodecanal.

Molecular Properties

Compound Namedodecanal
PubChem CID8194
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Namedodecanal
SMILESCCCCCCCCCCCC=O
InChIInChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3
InChIKeyHFJRKMMYBMWEAD-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 54.11
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'}

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Frequently Asked Questions

What is the IUPAC name of dodecanal?
The IUPAC name of dodecanal (CID 8194) is dodecanal.
What is the SMILES notation for dodecanal?
The canonical SMILES for dodecanal is CCCCCCCCCCCC=O.
What is the InChIKey of dodecanal?
The InChIKey is HFJRKMMYBMWEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3.
What are the key properties of dodecanal?
dodecanal has a molecular weight of 184.32 g/mol, XLogP of 4.11, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecanal is sourced from PubChem (CID 8194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).