dodecanoate;tripropylazanium

C21H45NO2 — CID 139301601

IUPACdodecanoate;tripropylazanium
SMILESCCCCCCCCCCCC(=O)[O-].CCC[NH+](CCC)CCC
InChIInChI=1S/C12H24O2.C9H21N/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-4-7-10(8-5-2)9-6-3/h2-11H2,1H3,(H,13,14);4-9H2,1-3H3
InChIKeyAMPJFNQLTZPERR-UHFFFAOYSA-N
MW343.60 g/mol
LogP3.76
Rot. Bonds16

About dodecanoate;tripropylazanium

dodecanoate;tripropylazanium (PubChem CID 139301601) has the molecular formula C21H45NO2 and a molecular weight of 343.60 g/mol. Its IUPAC name is dodecanoate;tripropylazanium.

Molecular Properties

Compound Namedodecanoate;tripropylazanium
PubChem CID139301601
Molecular FormulaC21H45NO2
Molecular Weight343.60 g/mol
Exact Mass343.35
IUPAC Namedodecanoate;tripropylazanium
SMILESCCCCCCCCCCCC(=O)[O-].CCC[NH+](CCC)CCC
InChIInChI=1S/C12H24O2.C9H21N/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-4-7-10(8-5-2)9-6-3/h2-11H2,1H3,(H,13,14);4-9H2,1-3H3
InChIKeyAMPJFNQLTZPERR-UHFFFAOYSA-N
XLogP3.76
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.60
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

molybdenum(4+);tetrakis(octanoate)
CID 14048363
tris(2-hydroxyethyl)azanium;undecanoate
CID 142313792
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
5-(dibutylazaniumyl)pentanoate
CID 28983390
octadecanoate dihydroxide
CID 22409007
iron(2+);bis(nonanoate)
CID 90001894
potassium heptadecanoate
CID 23668524
iron(3+);tris(tridecanoate)
CID 22072700
tris(pentadecanoate);praseodymium(3+)
CID 101109870
praseodymium(3+);tris(undecanoate)
CID 101109865

Frequently Asked Questions

What is the IUPAC name of dodecanoate;tripropylazanium?
The IUPAC name of dodecanoate;tripropylazanium (CID 139301601) is dodecanoate;tripropylazanium.
What is the SMILES notation for dodecanoate;tripropylazanium?
The canonical SMILES for dodecanoate;tripropylazanium is CCCCCCCCCCCC(=O)[O-].CCC[NH+](CCC)CCC.
What is the InChIKey of dodecanoate;tripropylazanium?
The InChIKey is AMPJFNQLTZPERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2.C9H21N/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-4-7-10(8-5-2)9-6-3/h2-11H2,1H3,(H,13,14);4-9H2,1-3H3.
What are the key properties of dodecanoate;tripropylazanium?
dodecanoate;tripropylazanium has a molecular weight of 343.60 g/mol, XLogP of 3.76, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecanoate;tripropylazanium is sourced from PubChem (CID 139301601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).