octadecanoate dihydroxide

C18H37O4-3 — CID 22409007

IUPACoctadecanoate dihydroxide
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].[OH-].[OH-]
InChIInChI=1S/C18H36O2.2H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2-17H2,1H3,(H,19,20);2*1H2/p-3
InChIKeyOUOPFMMIKLEKSS-UHFFFAOYSA-K
MW317.49 g/mol
LogP4.64
Rot. Bonds16

About octadecanoate dihydroxide

octadecanoate dihydroxide (PubChem CID 22409007) has the molecular formula C18H37O4-3 and a molecular weight of 317.49 g/mol. Its IUPAC name is octadecanoate dihydroxide.

Molecular Properties

Compound Nameoctadecanoate dihydroxide
PubChem CID22409007
Molecular FormulaC18H37O4-3
Molecular Weight317.49 g/mol
Exact Mass317.27
IUPAC Nameoctadecanoate dihydroxide
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].[OH-].[OH-]
InChIInChI=1S/C18H36O2.2H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2-17H2,1H3,(H,19,20);2*1H2/p-3
InChIKeyOUOPFMMIKLEKSS-UHFFFAOYSA-K
XLogP4.64
TPSA100.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.49
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(chromium(3+));tetradecanoate;pentahydroxide
CID 138394583
dodecanoate;indium(3+);dihydroxide
CID 157264828
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum tris(dodecanoate)
CID 18764696
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
CID 158868243
calcium;hexadecanoate;octadecanoate
CID 22065418
bis(undecanoate);zirconium(2+)
CID 18995554
manganese(2+);bis(tricosanoate)
CID 100951425

Frequently Asked Questions

What is the IUPAC name of octadecanoate dihydroxide?
The IUPAC name of octadecanoate dihydroxide (CID 22409007) is octadecanoate dihydroxide.
What is the SMILES notation for octadecanoate dihydroxide?
The canonical SMILES for octadecanoate dihydroxide is CCCCCCCCCCCCCCCCCC(=O)[O-].[OH-].[OH-].
What is the InChIKey of octadecanoate dihydroxide?
The InChIKey is OUOPFMMIKLEKSS-UHFFFAOYSA-K. The full InChI is InChI=1S/C18H36O2.2H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2-17H2,1H3,(H,19,20);2*1H2/p-3.
What are the key properties of octadecanoate dihydroxide?
octadecanoate dihydroxide has a molecular weight of 317.49 g/mol, XLogP of 4.64, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octadecanoate dihydroxide is sourced from PubChem (CID 22409007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).