carbon monoxide;bis((5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one);molybdenum

C22H32MoO4 — CID 10917458

IUPACcarbon monoxide;bis((5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one);molybdenum
SMILESCC(C)=C1CC[C@@H](C)CC1=O.CC(C)=C1CC[C@@H](C)CC1=O.[C-]#[O+].[C-]#[O+].[Mo]
InChIInChI=1S/2C10H16O.2CO.Mo/c2*1-7(2)9-5-4-8(3)6-10(9)11;2*1-2;/h2*8H,4-6H2,1-3H3;;;/t2*8-;;;/m11.../s1
InChIKeyFNWIZBPAZWWVIR-YRLJREEISA-N
MW456.43 g/mol
LogP5.35
Rot. Bonds

About carbon monoxide;bis((5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one);molybdenum

carbon monoxide;bis((5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one);molybdenum (PubChem CID 10917458) has the molecular formula C22H32MoO4 and a molecular weight of 456.43 g/mol. Its IUPAC name is carbon monoxide;bis((5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one);molybdenum.

Molecular Properties

Compound Namecarbon monoxide;bis((5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one);molybdenum
PubChem CID10917458
Molecular FormulaC22H32MoO4
Molecular Weight456.43 g/mol
Exact Mass458.14
IUPAC Namecarbon monoxide;bis((5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one);molybdenum
SMILESCC(C)=C1CC[C@@H](C)CC1=O.CC(C)=C1CC[C@@H](C)CC1=O.[C-]#[O+].[C-]#[O+].[Mo]
InChIInChI=1S/2C10H16O.2CO.Mo/c2*1-7(2)9-5-4-8(3)6-10(9)11;2*1-2;/h2*8H,4-6H2,1-3H3;;;/t2*8-;;;/m11.../s1
InChIKeyFNWIZBPAZWWVIR-YRLJREEISA-N
XLogP5.35
TPSA73.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.43
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5S)-2-(1,1,1,3,3,3-hexadeuteriopropan-2-ylidene)-5-methylcyclohexan-1-one
CID 101040791
(1R,4R)-1,4-dimethyl-7-propan-2-ylidene-1,2,3,4,5,8-hexahydroazulen-6-one
CID 15800986
[(Z)-[(5R)-5-methyl-2-propan-2-ylidenecyclohexylidene]amino]urea
CID 101276927
ethane;3-methylcyclopentan-1-one
CID 142926670
cis-(2S,3R)-2-hydroxy-3-methyl-6-propan-2-ylidenecyclohexan-1-one
CID 92973632
[(5-methyl-2-propan-2-ylidenecyclohexylidene)amino]thiourea
CID 3003803
2,3,5-trimethylcyclohept-2-en-1-one
CID 142093002
2-propan-2-yl-5-propan-2-ylidenecyclopentan-1-one
CID 130027117
5-methyl-2-[[2-[(4-methyl-2-oxocyclohexylidene)methylamino]ethylamino]methylidene]cyclohexan-1-one
CID 592502
1,4-dibromo-7-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 63513697
3-(113C)methylcyclohexan-1-one
CID 11708054
(1E)-1-[(4R)-4-methyl-2-methylidenecyclohexylidene]propan-1-ol
CID 163638137

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;bis((5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one);molybdenum?
The IUPAC name of carbon monoxide;bis((5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one);molybdenum (CID 10917458) is carbon monoxide;bis((5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one);molybdenum.
What is the SMILES notation for carbon monoxide;bis((5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one);molybdenum?
The canonical SMILES for carbon monoxide;bis((5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one);molybdenum is CC(C)=C1CC[C@@H](C)CC1=O.CC(C)=C1CC[C@@H](C)CC1=O.[C-]#[O+].[C-]#[O+].[Mo].
What is the InChIKey of carbon monoxide;bis((5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one);molybdenum?
The InChIKey is FNWIZBPAZWWVIR-YRLJREEISA-N. The full InChI is InChI=1S/2C10H16O.2CO.Mo/c2*1-7(2)9-5-4-8(3)6-10(9)11;2*1-2;/h2*8H,4-6H2,1-3H3;;;/t2*8-;;;/m11.../s1.
What are the key properties of carbon monoxide;bis((5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one);molybdenum?
carbon monoxide;bis((5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one);molybdenum has a molecular weight of 456.43 g/mol, XLogP of 5.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;bis((5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one);molybdenum is sourced from PubChem (CID 10917458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).