tetrakis((2E)-3,7-dimethylocta-2,6-dienoate);molybdenum(4+)

C40H60MoO8 — CID 175882289

IUPACtetrakis((2E)-3,7-dimethylocta-2,6-dienoate);molybdenum(4+)
SMILESCC(C)=CCC/C(C)=C/C(=O)[O-].CC(C)=CCC/C(C)=C/C(=O)[O-].CC(C)=CCC/C(C)=C/C(=O)[O-].CC(C)=CCC/C(C)=C/C(=O)[O-].[Mo+4]
InChIInChI=1S/4C10H16O2.Mo/c4*1-8(2)5-4-6-9(3)7-10(11)12;/h4*5,7H,4,6H2,1-3H3,(H,11,12);/q;;;;+4/p-4/b4*9-7+;
InChIKeyQTJAITOGBFAHOV-VDMAXMMCSA-J
MW764.85 g/mol
LogP5.71
Rot. Bonds16

About tetrakis((2E)-3,7-dimethylocta-2,6-dienoate);molybdenum(4+)

tetrakis((2E)-3,7-dimethylocta-2,6-dienoate);molybdenum(4+) (PubChem CID 175882289) has the molecular formula C40H60MoO8 and a molecular weight of 764.85 g/mol. Its IUPAC name is tetrakis((2E)-3,7-dimethylocta-2,6-dienoate);molybdenum(4+).

Molecular Properties

Compound Nametetrakis((2E)-3,7-dimethylocta-2,6-dienoate);molybdenum(4+)
PubChem CID175882289
Molecular FormulaC40H60MoO8
Molecular Weight764.85 g/mol
Exact Mass766.33
IUPAC Nametetrakis((2E)-3,7-dimethylocta-2,6-dienoate);molybdenum(4+)
SMILESCC(C)=CCC/C(C)=C/C(=O)[O-].CC(C)=CCC/C(C)=C/C(=O)[O-].CC(C)=CCC/C(C)=C/C(=O)[O-].CC(C)=CCC/C(C)=C/C(=O)[O-].[Mo+4]
InChIInChI=1S/4C10H16O2.Mo/c4*1-8(2)5-4-6-9(3)7-10(11)12;/h4*5,7H,4,6H2,1-3H3,(H,11,12);/q;;;;+4/p-4/b4*9-7+;
InChIKeyQTJAITOGBFAHOV-VDMAXMMCSA-J
XLogP5.71
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.85
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

barium(2+);bis((2Z)-3,7-dimethylocta-2,6-dienoate)
CID 175905407
(2E)-3,7-dimethylocta-2,6-dienoate;tributyl(2-hydroxyethyl)azanium
CID 155703657
(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoic acid
CID 5275521
3,7,11-trimethyldodeca-2,6,10-trienoyl chloride
CID 57199796
N-hydroxy-N,3,7-trimethylocta-2,6-dienamide
CID 54538014
3,7-dimethylocta-2,6-dienoyl-(3,7-dimethylocta-2,6-dienyl)-dimethylazanium
CID 91262041
methyl (2E)-3,7-dimethylocta-2,6-dieneperoxoate
CID 155204253
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
7,11-dimethyldodeca-3,6,10-trien-5-one
CID 54142162
(2Z)-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethylocta-2,6-dienamide
CID 59793401
nitroso 3,7-dimethylocta-2,6-dienoate
CID 91296458
4,8-dimethylnona-3,7-dienoic acid;(2E)-3,7-dimethylocta-2,6-dienoic acid
CID 160780461

Frequently Asked Questions

What is the IUPAC name of tetrakis((2E)-3,7-dimethylocta-2,6-dienoate);molybdenum(4+)?
The IUPAC name of tetrakis((2E)-3,7-dimethylocta-2,6-dienoate);molybdenum(4+) (CID 175882289) is tetrakis((2E)-3,7-dimethylocta-2,6-dienoate);molybdenum(4+).
What is the SMILES notation for tetrakis((2E)-3,7-dimethylocta-2,6-dienoate);molybdenum(4+)?
The canonical SMILES for tetrakis((2E)-3,7-dimethylocta-2,6-dienoate);molybdenum(4+) is CC(C)=CCC/C(C)=C/C(=O)[O-].CC(C)=CCC/C(C)=C/C(=O)[O-].CC(C)=CCC/C(C)=C/C(=O)[O-].CC(C)=CCC/C(C)=C/C(=O)[O-].[Mo+4].
What is the InChIKey of tetrakis((2E)-3,7-dimethylocta-2,6-dienoate);molybdenum(4+)?
The InChIKey is QTJAITOGBFAHOV-VDMAXMMCSA-J. The full InChI is InChI=1S/4C10H16O2.Mo/c4*1-8(2)5-4-6-9(3)7-10(11)12;/h4*5,7H,4,6H2,1-3H3,(H,11,12);/q;;;;+4/p-4/b4*9-7+;.
What are the key properties of tetrakis((2E)-3,7-dimethylocta-2,6-dienoate);molybdenum(4+)?
tetrakis((2E)-3,7-dimethylocta-2,6-dienoate);molybdenum(4+) has a molecular weight of 764.85 g/mol, XLogP of 5.71, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis((2E)-3,7-dimethylocta-2,6-dienoate);molybdenum(4+) is sourced from PubChem (CID 175882289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).