12-(dimethylamino)dodec-2-enoic acid

C14H27NO2 — CID 91299385

IUPAC12-(dimethylamino)dodec-2-enoic acid
SMILESCN(C)CCCCCCCCCC=CC(=O)O
InChIInChI=1S/C14H27NO2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14(16)17/h10,12H,3-9,11,13H2,1-2H3,(H,16,17)
InChIKeyQFVCTACEWILEKA-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.31
Rot. Bonds11

About 12-(dimethylamino)dodec-2-enoic acid

12-(dimethylamino)dodec-2-enoic acid (PubChem CID 91299385) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 12-(dimethylamino)dodec-2-enoic acid.

Molecular Properties

Compound Name12-(dimethylamino)dodec-2-enoic acid
PubChem CID91299385
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name12-(dimethylamino)dodec-2-enoic acid
SMILESCN(C)CCCCCCCCCC=CC(=O)O
InChIInChI=1S/C14H27NO2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14(16)17/h10,12H,3-9,11,13H2,1-2H3,(H,16,17)
InChIKeyQFVCTACEWILEKA-UHFFFAOYSA-N
XLogP3.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

undec-2-enoic acid
CID 519180
bis(heptadec-2-enoic acid);zinc
CID 172555643
icosa-2,11-dienoic acid
CID 54537818
icosa-2,12-dienoic acid
CID 174301675
octadec-2-enoic acid;hydrochloride
CID 175477245
alumane;hexadec-2-enoic acid
CID 174818671
icosa-2,17-dienoic acid
CID 173056389
copper;heptadec-2-enoic acid
CID 174878538
(E)-4-[3-(dimethylamino)propyl-methylamino]but-2-enoic acid
CID 63693869
(Z)-oct-2-enoic acid
CID 5282713
(E)-10-hydroxydec-2-enoic acid
CID 5312738
N,N-dioctyloctan-1-amine;(E)-hex-2-enoic acid
CID 173099199

Frequently Asked Questions

What is the IUPAC name of 12-(dimethylamino)dodec-2-enoic acid?
The IUPAC name of 12-(dimethylamino)dodec-2-enoic acid (CID 91299385) is 12-(dimethylamino)dodec-2-enoic acid.
What is the SMILES notation for 12-(dimethylamino)dodec-2-enoic acid?
The canonical SMILES for 12-(dimethylamino)dodec-2-enoic acid is CN(C)CCCCCCCCCC=CC(=O)O.
What is the InChIKey of 12-(dimethylamino)dodec-2-enoic acid?
The InChIKey is QFVCTACEWILEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14(16)17/h10,12H,3-9,11,13H2,1-2H3,(H,16,17).
What are the key properties of 12-(dimethylamino)dodec-2-enoic acid?
12-(dimethylamino)dodec-2-enoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.31, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(dimethylamino)dodec-2-enoic acid is sourced from PubChem (CID 91299385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).