dodecanoic acid

C12H24O2 — CID 3893

IUPACdodecanoic acid
SMILESCCCCCCCCCCCC(=O)O
InChIInChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
InChIKeyPOULHZVOKOAJMA-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.99
Rot. Bonds10

About dodecanoic acid

dodecanoic acid (PubChem CID 3893) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is dodecanoic acid.

Molecular Properties

Compound Namedodecanoic acid
PubChem CID3893
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Namedodecanoic acid
SMILESCCCCCCCCCCCC(=O)O
InChIInChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
InChIKeyPOULHZVOKOAJMA-UHFFFAOYSA-N
XLogP3.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Octanoic Acid
CID 379
Decanoic Acid
CID 2969
Nonanoic Acid
CID 8158
Palmitic Acid
CID 985
Azelaic Acid
CID 2266
Stearic Acid
CID 5281
Heptanoic Acid
CID 8094
Myristic Acid
CID 11005
Sebacic Acid
CID 5192
Undecanoic Acid
CID 8180
Docosanoic Acid
CID 8215
Dodecanedioic Acid
CID 12736

Frequently Asked Questions

What is the IUPAC name of dodecanoic acid?
The IUPAC name of dodecanoic acid (CID 3893) is dodecanoic acid.
What is the SMILES notation for dodecanoic acid?
The canonical SMILES for dodecanoic acid is CCCCCCCCCCCC(=O)O.
What is the InChIKey of dodecanoic acid?
The InChIKey is POULHZVOKOAJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14).
What are the key properties of dodecanoic acid?
dodecanoic acid has a molecular weight of 200.32 g/mol, XLogP of 3.99, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecanoic acid is sourced from PubChem (CID 3893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).