carbon monoxide;(1,4-diethoxy-4-methylpent-2-ynylidene)chromium

C15H16CrO7 — CID 10882905

IUPACcarbon monoxide;(1,4-diethoxy-4-methylpent-2-ynylidene)chromium
SMILESCCOC(=[Cr])C#CC(C)(C)OCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C10H16O2.5CO.Cr/c1-5-11-9-7-8-10(3,4)12-6-2;5*1-2;/h5-6H2,1-4H3;;;;;;
InChIKeyGWJNBERDZFUAJQ-UHFFFAOYSA-N
MW360.28 g/mol
LogP1.33
Rot. Bonds4

About carbon monoxide;(1,4-diethoxy-4-methylpent-2-ynylidene)chromium

carbon monoxide;(1,4-diethoxy-4-methylpent-2-ynylidene)chromium (PubChem CID 10882905) has the molecular formula C15H16CrO7 and a molecular weight of 360.28 g/mol. Its IUPAC name is carbon monoxide;(1,4-diethoxy-4-methylpent-2-ynylidene)chromium.

Molecular Properties

Compound Namecarbon monoxide;(1,4-diethoxy-4-methylpent-2-ynylidene)chromium
PubChem CID10882905
Molecular FormulaC15H16CrO7
Molecular Weight360.28 g/mol
Exact Mass360.03
IUPAC Namecarbon monoxide;(1,4-diethoxy-4-methylpent-2-ynylidene)chromium
SMILESCCOC(=[Cr])C#CC(C)(C)OCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C10H16O2.5CO.Cr/c1-5-11-9-7-8-10(3,4)12-6-2;5*1-2;/h5-6H2,1-4H3;;;;;;
InChIKeyGWJNBERDZFUAJQ-UHFFFAOYSA-N
XLogP1.33
TPSA117.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 51.33
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;(1,4-diethoxy-4-methylpent-2-ynylidene)chromium?
The IUPAC name of carbon monoxide;(1,4-diethoxy-4-methylpent-2-ynylidene)chromium (CID 10882905) is carbon monoxide;(1,4-diethoxy-4-methylpent-2-ynylidene)chromium.
What is the SMILES notation for carbon monoxide;(1,4-diethoxy-4-methylpent-2-ynylidene)chromium?
The canonical SMILES for carbon monoxide;(1,4-diethoxy-4-methylpent-2-ynylidene)chromium is CCOC(=[Cr])C#CC(C)(C)OCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;(1,4-diethoxy-4-methylpent-2-ynylidene)chromium?
The InChIKey is GWJNBERDZFUAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2.5CO.Cr/c1-5-11-9-7-8-10(3,4)12-6-2;5*1-2;/h5-6H2,1-4H3;;;;;;.
What are the key properties of carbon monoxide;(1,4-diethoxy-4-methylpent-2-ynylidene)chromium?
carbon monoxide;(1,4-diethoxy-4-methylpent-2-ynylidene)chromium has a molecular weight of 360.28 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;(1,4-diethoxy-4-methylpent-2-ynylidene)chromium is sourced from PubChem (CID 10882905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).