carbon monoxide;[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylmethylidene]chromium

C22H24CrO6 — CID 10917101

IUPACcarbon monoxide;[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylmethylidene]chromium
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=[Cr])c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C17H24O.5CO.Cr/c1-13(2)16-10-9-14(3)11-17(16)18-12-15-7-5-4-6-8-15;5*1-2;/h4-8,13-14,16-17H,9-11H2,1-3H3;;;;;;/t14-,16+,17-;;;;;;/m1....../s1
InChIKeyCJZUEFLQSWRJHA-BYTSYKIISA-N
MW436.42 g/mol
LogP4.00
Rot. Bonds4

About carbon monoxide;[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylmethylidene]chromium

carbon monoxide;[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylmethylidene]chromium (PubChem CID 10917101) has the molecular formula C22H24CrO6 and a molecular weight of 436.42 g/mol. Its IUPAC name is carbon monoxide;[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylmethylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylmethylidene]chromium
PubChem CID10917101
Molecular FormulaC22H24CrO6
Molecular Weight436.42 g/mol
Exact Mass436.10
IUPAC Namecarbon monoxide;[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylmethylidene]chromium
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=[Cr])c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C17H24O.5CO.Cr/c1-13(2)16-10-9-14(3)11-17(16)18-12-15-7-5-4-6-8-15;5*1-2;/h4-8,13-14,16-17H,9-11H2,1-3H3;;;;;;/t14-,16+,17-;;;;;;/m1....../s1
InChIKeyCJZUEFLQSWRJHA-BYTSYKIISA-N
XLogP4.00
TPSA108.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] benzoate
CID 11086510
[(1R)-5-methyl-2-propan-2-ylcyclohexyl] benzoate
CID 12641355
[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-3-oxo-2,3-diphenylpropanoate
CID 124767999
(5-methyl-2-propan-2-ylcyclohexyl) 3-oxo-2,3-diphenylpropanoate
CID 2750815
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-difluoro-3-oxo-3-phenylpropanoate
CID 162536847
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-benzamidoacetate
CID 101139746
2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone
CID 43798246
(5-methyl-2-propan-2-ylcyclohexyl) 3-phenylprop-2-ynoate
CID 2750811
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-hydroxy-2-phenylacetate
CID 124836317
2-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylbenzoic acid
CID 18529176
(5-methyl-2-propan-2-ylcyclohexyl) 2-cyano-3,3-diphenylprop-2-enoate
CID 18469616
[(2R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methyl-3-phenylbutanoate
CID 59897726

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylmethylidene]chromium?
The IUPAC name of carbon monoxide;[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylmethylidene]chromium (CID 10917101) is carbon monoxide;[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylmethylidene]chromium.
What is the SMILES notation for carbon monoxide;[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylmethylidene]chromium?
The canonical SMILES for carbon monoxide;[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylmethylidene]chromium is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=[Cr])c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylmethylidene]chromium?
The InChIKey is CJZUEFLQSWRJHA-BYTSYKIISA-N. The full InChI is InChI=1S/C17H24O.5CO.Cr/c1-13(2)16-10-9-14(3)11-17(16)18-12-15-7-5-4-6-8-15;5*1-2;/h4-8,13-14,16-17H,9-11H2,1-3H3;;;;;;/t14-,16+,17-;;;;;;/m1....../s1.
What are the key properties of carbon monoxide;[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylmethylidene]chromium?
carbon monoxide;[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylmethylidene]chromium has a molecular weight of 436.42 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylmethylidene]chromium is sourced from PubChem (CID 10917101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).