tetrakis(7,7-dimethyloctanoate);molybdenum(4+)

C40H76MoO8 — CID 161322125

IUPACtetrakis(7,7-dimethyloctanoate);molybdenum(4+)
SMILESCC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Mo+4]
InChIInChI=1S/4C10H20O2.Mo/c4*1-10(2,3)8-6-4-5-7-9(11)12;/h4*4-8H2,1-3H3,(H,11,12);/q;;;;+4/p-4
InChIKeyVKGYLJBRDQGYJW-UHFFFAOYSA-J
MW780.98 g/mol
LogP6.93
Rot. Bonds20

About tetrakis(7,7-dimethyloctanoate);molybdenum(4+)

tetrakis(7,7-dimethyloctanoate);molybdenum(4+) (PubChem CID 161322125) has the molecular formula C40H76MoO8 and a molecular weight of 780.98 g/mol. Its IUPAC name is tetrakis(7,7-dimethyloctanoate);molybdenum(4+).

Molecular Properties

Compound Nametetrakis(7,7-dimethyloctanoate);molybdenum(4+)
PubChem CID161322125
Molecular FormulaC40H76MoO8
Molecular Weight780.98 g/mol
Exact Mass782.46
IUPAC Nametetrakis(7,7-dimethyloctanoate);molybdenum(4+)
SMILESCC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Mo+4]
InChIInChI=1S/4C10H20O2.Mo/c4*1-10(2,3)8-6-4-5-7-9(11)12;/h4*4-8H2,1-3H3,(H,11,12);/q;;;;+4/p-4
InChIKeyVKGYLJBRDQGYJW-UHFFFAOYSA-J
XLogP6.93
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.98
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

calcium;6,6-dimethylheptanoate;8,8-dimethylnonanoate
CID 56844065
7,7-dimethyloctanoate
CID 21225528
bis(7,7-dimethyloctanoate);manganese(2+)
CID 22315822
azanium 19,19-dimethylicosanoate
CID 141464670
CID 173015886
CID 173015886
7,7-dimethyloctanoate;niobium;borate
CID 175224154
bis(6,6-dimethylheptanoate);dimethyltin(2+)
CID 160545189
calcium;7,7-dimethyloctanoate;7-methyloctanoate
CID 56843801
calcium decanedioate
CID 11637296
calcium heptanedioate
CID 71587031
calcium undecanedioate
CID 140969229
tridecanedioate
CID 6994474

Frequently Asked Questions

What is the IUPAC name of tetrakis(7,7-dimethyloctanoate);molybdenum(4+)?
The IUPAC name of tetrakis(7,7-dimethyloctanoate);molybdenum(4+) (CID 161322125) is tetrakis(7,7-dimethyloctanoate);molybdenum(4+).
What is the SMILES notation for tetrakis(7,7-dimethyloctanoate);molybdenum(4+)?
The canonical SMILES for tetrakis(7,7-dimethyloctanoate);molybdenum(4+) is CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Mo+4].
What is the InChIKey of tetrakis(7,7-dimethyloctanoate);molybdenum(4+)?
The InChIKey is VKGYLJBRDQGYJW-UHFFFAOYSA-J. The full InChI is InChI=1S/4C10H20O2.Mo/c4*1-10(2,3)8-6-4-5-7-9(11)12;/h4*4-8H2,1-3H3,(H,11,12);/q;;;;+4/p-4.
What are the key properties of tetrakis(7,7-dimethyloctanoate);molybdenum(4+)?
tetrakis(7,7-dimethyloctanoate);molybdenum(4+) has a molecular weight of 780.98 g/mol, XLogP of 6.93, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(7,7-dimethyloctanoate);molybdenum(4+) is sourced from PubChem (CID 161322125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).