undecanoic acid

C11H22O2 — CID 8180

IUPACundecanoic acid
SMILESCCCCCCCCCCC(=O)O
InChIInChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
InChIKeyZDPHROOEEOARMN-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.60
Rot. Bonds9

About undecanoic acid

undecanoic acid (PubChem CID 8180) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is undecanoic acid.

Molecular Properties

Compound Nameundecanoic acid
PubChem CID8180
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Nameundecanoic acid
SMILESCCCCCCCCCCC(=O)O
InChIInChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
InChIKeyZDPHROOEEOARMN-UHFFFAOYSA-N
XLogP3.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.60
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
Lauric Acid
CID 3893
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
Docosanoic Acid
CID 8215
Dodecanedioic Acid
CID 12736

Frequently Asked Questions

What is the IUPAC name of undecanoic acid?
The IUPAC name of undecanoic acid (CID 8180) is undecanoic acid.
What is the SMILES notation for undecanoic acid?
The canonical SMILES for undecanoic acid is CCCCCCCCCCC(=O)O.
What is the InChIKey of undecanoic acid?
The InChIKey is ZDPHROOEEOARMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13).
What are the key properties of undecanoic acid?
undecanoic acid has a molecular weight of 186.29 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for undecanoic acid is sourced from PubChem (CID 8180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).