carbon monoxide;[(E)-1-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybut-2-enylidene]chromium

C19H24CrO6 — CID 135049178

IUPACcarbon monoxide;[(E)-1-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybut-2-enylidene]chromium
SMILESC/C=C/C(=[Cr])O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C14H24O.5CO.Cr/c1-5-6-9-15-14-10-12(4)7-8-13(14)11(2)3;5*1-2;/h5-6,11-14H,7-8,10H2,1-4H3;;;;;;/b6-5+;;;;;;/t12-,13+,14-;;;;;;/m0....../s1
InChIKeyJSMPZHWCVKEFKX-SMPOSTKXSA-N
MW400.39 g/mol
LogP3.53
Rot. Bonds4

About carbon monoxide;[(E)-1-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybut-2-enylidene]chromium

carbon monoxide;[(E)-1-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybut-2-enylidene]chromium (PubChem CID 135049178) has the molecular formula C19H24CrO6 and a molecular weight of 400.39 g/mol. Its IUPAC name is carbon monoxide;[(E)-1-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybut-2-enylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[(E)-1-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybut-2-enylidene]chromium
PubChem CID135049178
Molecular FormulaC19H24CrO6
Molecular Weight400.39 g/mol
Exact Mass400.10
IUPAC Namecarbon monoxide;[(E)-1-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybut-2-enylidene]chromium
SMILESC/C=C/C(=[Cr])O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C14H24O.5CO.Cr/c1-5-6-9-15-14-10-12(4)7-8-13(14)11(2)3;5*1-2;/h5-6,11-14H,7-8,10H2,1-4H3;;;;;;/b6-5+;;;;;;/t12-,13+,14-;;;;;;/m0....../s1
InChIKeyJSMPZHWCVKEFKX-SMPOSTKXSA-N
XLogP3.53
TPSA108.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 53.53
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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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[(E)-1-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybut-2-enylidene]chromium?
The IUPAC name of carbon monoxide;[(E)-1-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybut-2-enylidene]chromium (CID 135049178) is carbon monoxide;[(E)-1-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybut-2-enylidene]chromium.
What is the SMILES notation for carbon monoxide;[(E)-1-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybut-2-enylidene]chromium?
The canonical SMILES for carbon monoxide;[(E)-1-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybut-2-enylidene]chromium is C/C=C/C(=[Cr])O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[(E)-1-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybut-2-enylidene]chromium?
The InChIKey is JSMPZHWCVKEFKX-SMPOSTKXSA-N. The full InChI is InChI=1S/C14H24O.5CO.Cr/c1-5-6-9-15-14-10-12(4)7-8-13(14)11(2)3;5*1-2;/h5-6,11-14H,7-8,10H2,1-4H3;;;;;;/b6-5+;;;;;;/t12-,13+,14-;;;;;;/m0....../s1.
What are the key properties of carbon monoxide;[(E)-1-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybut-2-enylidene]chromium?
carbon monoxide;[(E)-1-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybut-2-enylidene]chromium has a molecular weight of 400.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[(E)-1-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybut-2-enylidene]chromium is sourced from PubChem (CID 135049178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).