tris(octadecanoate);vanadium

C54H105O6V-3 — CID 157335083

IUPACtris(octadecanoate);vanadium
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[V]
InChIInChI=1S/3C18H36O2.V/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*2-17H2,1H3,(H,19,20);/p-3
InChIKeyKDHFGVPYJQIDMN-UHFFFAOYSA-K
MW901.37 g/mol
LogP14.99
Rot. Bonds48

About tris(octadecanoate);vanadium

tris(octadecanoate);vanadium (PubChem CID 157335083) has the molecular formula C54H105O6V-3 and a molecular weight of 901.37 g/mol. Its IUPAC name is tris(octadecanoate);vanadium.

Molecular Properties

Compound Nametris(octadecanoate);vanadium
PubChem CID157335083
Molecular FormulaC54H105O6V-3
Molecular Weight901.37 g/mol
Exact Mass900.74
IUPAC Nametris(octadecanoate);vanadium
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[V]
InChIInChI=1S/3C18H36O2.V/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*2-17H2,1H3,(H,19,20);/p-3
InChIKeyKDHFGVPYJQIDMN-UHFFFAOYSA-K
XLogP14.99
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds48
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.37
LogP ≤ 514.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 23623890
octadecanoate
CID 3033836
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CID 18764696
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dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
CID 158868243
decanoate;lanthanum(3+)
CID 21139452
calcium;hexadecanoate;octadecanoate
CID 22065418
bis(undecanoate);zirconium(2+)
CID 18995554
manganese(2+);bis(tricosanoate)
CID 100951425
tetrakis(octadecanoate);thorium(4+)
CID 160802738

Frequently Asked Questions

What is the IUPAC name of tris(octadecanoate);vanadium?
The IUPAC name of tris(octadecanoate);vanadium (CID 157335083) is tris(octadecanoate);vanadium.
What is the SMILES notation for tris(octadecanoate);vanadium?
The canonical SMILES for tris(octadecanoate);vanadium is CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[V].
What is the InChIKey of tris(octadecanoate);vanadium?
The InChIKey is KDHFGVPYJQIDMN-UHFFFAOYSA-K. The full InChI is InChI=1S/3C18H36O2.V/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*2-17H2,1H3,(H,19,20);/p-3.
What are the key properties of tris(octadecanoate);vanadium?
tris(octadecanoate);vanadium has a molecular weight of 901.37 g/mol, XLogP of 14.99, 48 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(octadecanoate);vanadium is sourced from PubChem (CID 157335083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).