hexakis(hexadecanoate);molybdenum

C96H186MoO12-6 — CID 173268111

IUPAChexakis(hexadecanoate);molybdenum
SMILESCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[Mo]
InChIInChI=1S/6C16H32O2.Mo/c6*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h6*2-15H2,1H3,(H,17,18);/p-6
InChIKeyXUZIAUATNIRUOJ-UHFFFAOYSA-H
MW1628.47 g/mol
LogP25.30
Rot. Bonds84

About hexakis(hexadecanoate);molybdenum

hexakis(hexadecanoate);molybdenum (PubChem CID 173268111) has the molecular formula C96H186MoO12-6 and a molecular weight of 1628.47 g/mol. Its IUPAC name is hexakis(hexadecanoate);molybdenum.

Molecular Properties

Compound Namehexakis(hexadecanoate);molybdenum
PubChem CID173268111
Molecular FormulaC96H186MoO12-6
Molecular Weight1628.47 g/mol
Exact Mass1629.30
IUPAC Namehexakis(hexadecanoate);molybdenum
SMILESCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[Mo]
InChIInChI=1S/6C16H32O2.Mo/c6*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h6*2-15H2,1H3,(H,17,18);/p-6
InChIKeyXUZIAUATNIRUOJ-UHFFFAOYSA-H
XLogP25.30
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds84
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001628.47
LogP ≤ 525.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze hexakis(hexadecanoate);molybdenum with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

calcium;hexadecanoate;octadecanoate
CID 22065418
dicalcium;octadecanoate;chloride
CID 161460201
calcium;cobalt(2+);tetrakis(octadecanoate)
CID 163980836
aluminum;calcium;bis(octadecanoate)
CID 19387726
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
calcium;tris(octadecanoate);oxostibanylium
CID 163476687
calcium;zinc;barium(2+);hexakis(octadecanoate)
CID 173338441
manganese(2+);bis(tricosanoate)
CID 100951425
dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
CID 158868243

Frequently Asked Questions

What is the IUPAC name of hexakis(hexadecanoate);molybdenum?
The IUPAC name of hexakis(hexadecanoate);molybdenum (CID 173268111) is hexakis(hexadecanoate);molybdenum.
What is the SMILES notation for hexakis(hexadecanoate);molybdenum?
The canonical SMILES for hexakis(hexadecanoate);molybdenum is CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[Mo].
What is the InChIKey of hexakis(hexadecanoate);molybdenum?
The InChIKey is XUZIAUATNIRUOJ-UHFFFAOYSA-H. The full InChI is InChI=1S/6C16H32O2.Mo/c6*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h6*2-15H2,1H3,(H,17,18);/p-6.
What are the key properties of hexakis(hexadecanoate);molybdenum?
hexakis(hexadecanoate);molybdenum has a molecular weight of 1628.47 g/mol, XLogP of 25.30, 84 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(hexadecanoate);molybdenum is sourced from PubChem (CID 173268111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).