dipotassium;2-aminoethanol;octadecanoic acid;carbonate

C21H43K2NO6 — CID 86642449

IUPACdipotassium;2-aminoethanol;octadecanoic acid;carbonate
SMILESCCCCCCCCCCCCCCCCCC(=O)O.NCCO.O=C([O-])[O-].[K+].[K+]
InChIInChI=1S/C18H36O2.C2H7NO.CH2O3.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4;2-1(3)4;;/h2-17H2,1H3,(H,19,20);4H,1-3H2;(H2,2,3,4);;/q;;;2*+1/p-2
InChIKeySVUQYTPWLPGUFC-UHFFFAOYSA-L
MW483.77 g/mol
LogP-3.17
Rot. Bonds17

About dipotassium;2-aminoethanol;octadecanoic acid;carbonate

dipotassium;2-aminoethanol;octadecanoic acid;carbonate (PubChem CID 86642449) has the molecular formula C21H43K2NO6 and a molecular weight of 483.77 g/mol. Its IUPAC name is dipotassium;2-aminoethanol;octadecanoic acid;carbonate.

Molecular Properties

Compound Namedipotassium;2-aminoethanol;octadecanoic acid;carbonate
PubChem CID86642449
Molecular FormulaC21H43K2NO6
Molecular Weight483.77 g/mol
Exact Mass483.24
IUPAC Namedipotassium;2-aminoethanol;octadecanoic acid;carbonate
SMILESCCCCCCCCCCCCCCCCCC(=O)O.NCCO.O=C([O-])[O-].[K+].[K+]
InChIInChI=1S/C18H36O2.C2H7NO.CH2O3.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4;2-1(3)4;;/h2-17H2,1H3,(H,19,20);4H,1-3H2;(H2,2,3,4);;/q;;;2*+1/p-2
InChIKeySVUQYTPWLPGUFC-UHFFFAOYSA-L
XLogP-3.17
TPSA146.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.77
LogP ≤ 5-3.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

calcium;nonadecanoic acid;carbonate
CID 174780651
5-aminopentan-1-ol;octanoic acid
CID 21259313
tris(2-aminoethanol);(Z)-octadec-9-enoic acid
CID 158956613
octadecanoic acid;pentadecan-1-amine
CID 174740594
nonan-1-amine;octanoic acid
CID 173305538
decan-1-amine;tetradecanoic acid
CID 158474246
7-aminoheptanoic acid;heptanoic acid
CID 157060940
pentan-1-amine;tetradecanoic acid
CID 174809000
decan-1-amine;dodecanoic acid
CID 173305256
hexadecanoic acid;pentan-1-amine
CID 161401164
icosan-1-amine;octadecanoic acid
CID 174740583
dodecane-1,12-diol;dodecanoic acid
CID 87364102

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-aminoethanol;octadecanoic acid;carbonate?
The IUPAC name of dipotassium;2-aminoethanol;octadecanoic acid;carbonate (CID 86642449) is dipotassium;2-aminoethanol;octadecanoic acid;carbonate.
What is the SMILES notation for dipotassium;2-aminoethanol;octadecanoic acid;carbonate?
The canonical SMILES for dipotassium;2-aminoethanol;octadecanoic acid;carbonate is CCCCCCCCCCCCCCCCCC(=O)O.NCCO.O=C([O-])[O-].[K+].[K+].
What is the InChIKey of dipotassium;2-aminoethanol;octadecanoic acid;carbonate?
The InChIKey is SVUQYTPWLPGUFC-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H36O2.C2H7NO.CH2O3.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4;2-1(3)4;;/h2-17H2,1H3,(H,19,20);4H,1-3H2;(H2,2,3,4);;/q;;;2*+1/p-2.
What are the key properties of dipotassium;2-aminoethanol;octadecanoic acid;carbonate?
dipotassium;2-aminoethanol;octadecanoic acid;carbonate has a molecular weight of 483.77 g/mol, XLogP of -3.17, 17 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-aminoethanol;octadecanoic acid;carbonate is sourced from PubChem (CID 86642449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).