carbon monoxide;[(3,4-dimethylcyclohex-3-en-1-yl)-methoxymethylidene]chromium

C15H16CrO6 — CID 134889398

IUPACcarbon monoxide;[(3,4-dimethylcyclohex-3-en-1-yl)-methoxymethylidene]chromium
SMILESCOC(=[Cr])C1CCC(C)=C(C)C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C10H16O.5CO.Cr/c1-8-4-5-10(7-11-3)6-9(8)2;5*1-2;/h10H,4-6H2,1-3H3;;;;;;
InChIKeyAMPKROYCVFFKRH-UHFFFAOYSA-N
MW344.28 g/mol
LogP2.26
Rot. Bonds2

About carbon monoxide;[(3,4-dimethylcyclohex-3-en-1-yl)-methoxymethylidene]chromium

carbon monoxide;[(3,4-dimethylcyclohex-3-en-1-yl)-methoxymethylidene]chromium (PubChem CID 134889398) has the molecular formula C15H16CrO6 and a molecular weight of 344.28 g/mol. Its IUPAC name is carbon monoxide;[(3,4-dimethylcyclohex-3-en-1-yl)-methoxymethylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[(3,4-dimethylcyclohex-3-en-1-yl)-methoxymethylidene]chromium
PubChem CID134889398
Molecular FormulaC15H16CrO6
Molecular Weight344.28 g/mol
Exact Mass344.04
IUPAC Namecarbon monoxide;[(3,4-dimethylcyclohex-3-en-1-yl)-methoxymethylidene]chromium
SMILESCOC(=[Cr])C1CCC(C)=C(C)C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C10H16O.5CO.Cr/c1-8-4-5-10(7-11-3)6-9(8)2;5*1-2;/h10H,4-6H2,1-3H3;;;;;;
InChIKeyAMPKROYCVFFKRH-UHFFFAOYSA-N
XLogP2.26
TPSA108.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 52.26
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[(3,4-dimethylcyclohex-3-en-1-yl)-methoxymethylidene]chromium?
The IUPAC name of carbon monoxide;[(3,4-dimethylcyclohex-3-en-1-yl)-methoxymethylidene]chromium (CID 134889398) is carbon monoxide;[(3,4-dimethylcyclohex-3-en-1-yl)-methoxymethylidene]chromium.
What is the SMILES notation for carbon monoxide;[(3,4-dimethylcyclohex-3-en-1-yl)-methoxymethylidene]chromium?
The canonical SMILES for carbon monoxide;[(3,4-dimethylcyclohex-3-en-1-yl)-methoxymethylidene]chromium is COC(=[Cr])C1CCC(C)=C(C)C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[(3,4-dimethylcyclohex-3-en-1-yl)-methoxymethylidene]chromium?
The InChIKey is AMPKROYCVFFKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O.5CO.Cr/c1-8-4-5-10(7-11-3)6-9(8)2;5*1-2;/h10H,4-6H2,1-3H3;;;;;;.
What are the key properties of carbon monoxide;[(3,4-dimethylcyclohex-3-en-1-yl)-methoxymethylidene]chromium?
carbon monoxide;[(3,4-dimethylcyclohex-3-en-1-yl)-methoxymethylidene]chromium has a molecular weight of 344.28 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[(3,4-dimethylcyclohex-3-en-1-yl)-methoxymethylidene]chromium is sourced from PubChem (CID 134889398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).