dioxomolybdenum;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)

C22H40MoO6 — CID 102601110

IUPACdioxomolybdenum;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
SMILESCC(C)(C)C(=O)/C=C(\O)C(C)(C)C.CC(C)(C)C(=O)/C=C(\O)C(C)(C)C.O=[Mo]=O
InChIInChI=1S/2C11H20O2.Mo.2O/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;;;/h2*7,12H,1-6H3;;;/b2*8-7-;;;
InChIKeyFLPSXHSSVOJARZ-KKUWAICFSA-N
MW496.50 g/mol
LogP5.94
Rot. Bonds2

About dioxomolybdenum;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)

dioxomolybdenum;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one) (PubChem CID 102601110) has the molecular formula C22H40MoO6 and a molecular weight of 496.50 g/mol. Its IUPAC name is dioxomolybdenum;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one).

Molecular Properties

Compound Namedioxomolybdenum;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
PubChem CID102601110
Molecular FormulaC22H40MoO6
Molecular Weight496.50 g/mol
Exact Mass498.19
IUPAC Namedioxomolybdenum;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
SMILESCC(C)(C)C(=O)/C=C(\O)C(C)(C)C.CC(C)(C)C(=O)/C=C(\O)C(C)(C)C.O=[Mo]=O
InChIInChI=1S/2C11H20O2.Mo.2O/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;;;/h2*7,12H,1-6H3;;;/b2*8-7-;;;
InChIKeyFLPSXHSSVOJARZ-KKUWAICFSA-N
XLogP5.94
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.50
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

chromium;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
CID 5148179
tris((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);terbium
CID 71311421
copper;bis((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
CID 53393500
bis(cobalt(3+));tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
CID 170922988
CID 6849360
CID 6849360
cerium;(Z)-6,6,6-trifluoro-5-hydroxy-2,2-dimethylhex-4-en-3-one
CID 156648922
N-(2,2-dimethylpropanoyl)-2,2-dimethylpropanimidic acid;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);manganese
CID 162748847
bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);2-methylpentane-2,4-diol;titanium
CID 158968967
(Z)-5-hydroxy-2,6,6-trimethyl-2-trimethylsilyloxyhept-4-en-3-one
CID 23594323
methyl (Z)-3-hydroxy-4,4-dimethylpent-2-enoate
CID 54675983
6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloct-4-en-3-one;silver;triethylphosphane
CID 146157526
bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);4-hydroxy-5,5-dimethylhex-3-en-2-one;tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(palladium);bis(5,5,5-trifluoro-4-hydroxypent-3-en-2-one);bis(tri(propan-2-yl)phosphanium)
CID 163771066

Frequently Asked Questions

What is the IUPAC name of dioxomolybdenum;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)?
The IUPAC name of dioxomolybdenum;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one) (CID 102601110) is dioxomolybdenum;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one).
What is the SMILES notation for dioxomolybdenum;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)?
The canonical SMILES for dioxomolybdenum;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one) is CC(C)(C)C(=O)/C=C(\O)C(C)(C)C.CC(C)(C)C(=O)/C=C(\O)C(C)(C)C.O=[Mo]=O.
What is the InChIKey of dioxomolybdenum;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)?
The InChIKey is FLPSXHSSVOJARZ-KKUWAICFSA-N. The full InChI is InChI=1S/2C11H20O2.Mo.2O/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;;;/h2*7,12H,1-6H3;;;/b2*8-7-;;;.
What are the key properties of dioxomolybdenum;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)?
dioxomolybdenum;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one) has a molecular weight of 496.50 g/mol, XLogP of 5.94, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dioxomolybdenum;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one) is sourced from PubChem (CID 102601110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).