molybdenum(4+);tetrakis((Z)-octadec-11-enoate)

C72H132MoO8 — CID 175691610

IUPACmolybdenum(4+);tetrakis((Z)-octadec-11-enoate)
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)[O-].CCCCCC/C=C\CCCCCCCCCC(=O)[O-].CCCCCC/C=C\CCCCCCCCCC(=O)[O-].CCCCCC/C=C\CCCCCCCCCC(=O)[O-].[Mo+4]
InChIInChI=1S/4C18H34O2.Mo/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h4*7-8H,2-6,9-17H2,1H3,(H,19,20);/q;;;;+4/p-4/b4*8-7-;
InChIKeyIDSIOBRCURGHEV-DNSQIVDOSA-J
MW1221.78 g/mol
LogP19.09
Rot. Bonds60

About molybdenum(4+);tetrakis((Z)-octadec-11-enoate)

molybdenum(4+);tetrakis((Z)-octadec-11-enoate) (PubChem CID 175691610) has the molecular formula C72H132MoO8 and a molecular weight of 1221.78 g/mol. Its IUPAC name is molybdenum(4+);tetrakis((Z)-octadec-11-enoate).

Molecular Properties

Compound Namemolybdenum(4+);tetrakis((Z)-octadec-11-enoate)
PubChem CID175691610
Molecular FormulaC72H132MoO8
Molecular Weight1221.78 g/mol
Exact Mass1222.90
IUPAC Namemolybdenum(4+);tetrakis((Z)-octadec-11-enoate)
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)[O-].CCCCCC/C=C\CCCCCCCCCC(=O)[O-].CCCCCC/C=C\CCCCCCCCCC(=O)[O-].CCCCCC/C=C\CCCCCCCCCC(=O)[O-].[Mo+4]
InChIInChI=1S/4C18H34O2.Mo/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h4*7-8H,2-6,9-17H2,1H3,(H,19,20);/q;;;;+4/p-4/b4*8-7-;
InChIKeyIDSIOBRCURGHEV-DNSQIVDOSA-J
XLogP19.09
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds60
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001221.78
LogP ≤ 519.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(E)-triacont-15-enoate
CID 59800253
hexakis((Z)-octadec-9-enoate);uranium
CID 173422763
tris((Z)-icos-11-enoate);neodymium(3+)
CID 175691985
iron(3+);(Z)-octadec-9-enoate
CID 22297787
tris(octadec-9-enoate);thulium(3+)
CID 173065522
lithium (Z)-octadec-9-enoate
CID 23673654
tris((Z)-icos-9-enoate);scandium(3+)
CID 175691845
holmium(3+);tris((Z)-octadec-9-enoate)
CID 173065426
copper bis((Z)-octadec-11-enoate)
CID 175691872
copper bis((Z)-octadec-9-enoate)
CID 6436661
potassium (E)-(1,2,3,7,8-13C5)octadec-9-enoate
CID 71309848
erbium(3+);tris((Z)-octadec-11-enoate)
CID 175691885

Frequently Asked Questions

What is the IUPAC name of molybdenum(4+);tetrakis((Z)-octadec-11-enoate)?
The IUPAC name of molybdenum(4+);tetrakis((Z)-octadec-11-enoate) (CID 175691610) is molybdenum(4+);tetrakis((Z)-octadec-11-enoate).
What is the SMILES notation for molybdenum(4+);tetrakis((Z)-octadec-11-enoate)?
The canonical SMILES for molybdenum(4+);tetrakis((Z)-octadec-11-enoate) is CCCCCC/C=C\CCCCCCCCCC(=O)[O-].CCCCCC/C=C\CCCCCCCCCC(=O)[O-].CCCCCC/C=C\CCCCCCCCCC(=O)[O-].CCCCCC/C=C\CCCCCCCCCC(=O)[O-].[Mo+4].
What is the InChIKey of molybdenum(4+);tetrakis((Z)-octadec-11-enoate)?
The InChIKey is IDSIOBRCURGHEV-DNSQIVDOSA-J. The full InChI is InChI=1S/4C18H34O2.Mo/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h4*7-8H,2-6,9-17H2,1H3,(H,19,20);/q;;;;+4/p-4/b4*8-7-;.
What are the key properties of molybdenum(4+);tetrakis((Z)-octadec-11-enoate)?
molybdenum(4+);tetrakis((Z)-octadec-11-enoate) has a molecular weight of 1221.78 g/mol, XLogP of 19.09, 60 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for molybdenum(4+);tetrakis((Z)-octadec-11-enoate) is sourced from PubChem (CID 175691610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).