undec-2-enoic acid

C11H20O2 — CID 519180

IUPACundec-2-enoic acid
SMILESCCCCCCCCC=CC(=O)O
InChIInChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyIGBBVTAVILYDIO-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.38
Rot. Bonds8

About undec-2-enoic acid

undec-2-enoic acid (PubChem CID 519180) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is undec-2-enoic acid.

Molecular Properties

Compound Nameundec-2-enoic acid
PubChem CID519180
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Nameundec-2-enoic acid
SMILESCCCCCCCCC=CC(=O)O
InChIInChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyIGBBVTAVILYDIO-UHFFFAOYSA-N
XLogP3.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

icosa-2,12-dienoic acid
CID 174301675
icosa-2,11-dienoic acid
CID 54537818
bis(heptadec-2-enoic acid);zinc
CID 172555643
octadec-2-enoic acid;hydrochloride
CID 175477245
alumane;hexadec-2-enoic acid
CID 174818671
copper;heptadec-2-enoic acid
CID 174878538
(Z)-oct-2-enoic acid
CID 5282713
iron;(E)-oct-2-enoic acid
CID 89456364
(E)-oct-2-enoic acid;zirconium
CID 89456417
octadeca-2,11,13-trienoic acid
CID 173322272
CID 158204021
CID 158204021
10-methylheptadec-2-enoic acid
CID 176885853

Frequently Asked Questions

What is the IUPAC name of undec-2-enoic acid?
The IUPAC name of undec-2-enoic acid (CID 519180) is undec-2-enoic acid.
What is the SMILES notation for undec-2-enoic acid?
The canonical SMILES for undec-2-enoic acid is CCCCCCCCC=CC(=O)O.
What is the InChIKey of undec-2-enoic acid?
The InChIKey is IGBBVTAVILYDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h9-10H,2-8H2,1H3,(H,12,13).
What are the key properties of undec-2-enoic acid?
undec-2-enoic acid has a molecular weight of 184.28 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for undec-2-enoic acid is sourced from PubChem (CID 519180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).