chromium;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)

C33H60CrO6 — CID 5148179

IUPACchromium;tris(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.CC(C)(C)C(=O)C=C(O)C(C)(C)C.[Cr]
InChIInChI=1S/3C11H20O2.Cr/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;
InChIKeyGWKHNQIALWXRPA-UHFFFAOYSA-N
MW604.83 g/mol
LogP9.27
Rot. Bonds3

About chromium;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)

chromium;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one) (PubChem CID 5148179) has the molecular formula C33H60CrO6 and a molecular weight of 604.83 g/mol. Its IUPAC name is chromium;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one).

Molecular Properties

Compound Namechromium;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
PubChem CID5148179
Molecular FormulaC33H60CrO6
Molecular Weight604.83 g/mol
Exact Mass604.38
IUPAC Namechromium;tris(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.CC(C)(C)C(=O)C=C(O)C(C)(C)C.[Cr]
InChIInChI=1S/3C11H20O2.Cr/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;
InChIKeyGWKHNQIALWXRPA-UHFFFAOYSA-N
XLogP9.27
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.83
LogP ≤ 59.27
H-Bond Donors ≤ 53
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

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
dioxomolybdenum;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
CID 102601110
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 chromium;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)?
The IUPAC name of chromium;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one) (CID 5148179) is chromium;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one).
What is the SMILES notation for chromium;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)?
The canonical SMILES for chromium;tris(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.CC(C)(C)C(=O)C=C(O)C(C)(C)C.[Cr].
What is the InChIKey of chromium;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)?
The InChIKey is GWKHNQIALWXRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H20O2.Cr/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;.
What are the key properties of chromium;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)?
chromium;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one) has a molecular weight of 604.83 g/mol, XLogP of 9.27, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one) is sourced from PubChem (CID 5148179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).