carbon monoxide;[(Z)-1,2-dimethoxybut-2-enylidene]chromium

C11H10CrO7 — CID 134996074

IUPACcarbon monoxide;[(Z)-1,2-dimethoxybut-2-enylidene]chromium
SMILESC/C=C(\OC)C(=[Cr])OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C6H10O2.5CO.Cr/c1-4-6(8-3)5-7-2;5*1-2;/h4H,1-3H3;;;;;;/b6-4-;;;;;;
InChIKeyPAKLUINQODEUMX-LNYMVSAVSA-N
MW306.19 g/mol
LogP0.67
Rot. Bonds3

About carbon monoxide;[(Z)-1,2-dimethoxybut-2-enylidene]chromium

carbon monoxide;[(Z)-1,2-dimethoxybut-2-enylidene]chromium (PubChem CID 134996074) has the molecular formula C11H10CrO7 and a molecular weight of 306.19 g/mol. Its IUPAC name is carbon monoxide;[(Z)-1,2-dimethoxybut-2-enylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[(Z)-1,2-dimethoxybut-2-enylidene]chromium
PubChem CID134996074
Molecular FormulaC11H10CrO7
Molecular Weight306.19 g/mol
Exact Mass305.98
IUPAC Namecarbon monoxide;[(Z)-1,2-dimethoxybut-2-enylidene]chromium
SMILESC/C=C(\OC)C(=[Cr])OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C6H10O2.5CO.Cr/c1-4-6(8-3)5-7-2;5*1-2;/h4H,1-3H3;;;;;;/b6-4-;;;;;;
InChIKeyPAKLUINQODEUMX-LNYMVSAVSA-N
XLogP0.67
TPSA117.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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;[(Z)-1,2-dimethoxybut-2-enylidene]chromium?
The IUPAC name of carbon monoxide;[(Z)-1,2-dimethoxybut-2-enylidene]chromium (CID 134996074) is carbon monoxide;[(Z)-1,2-dimethoxybut-2-enylidene]chromium.
What is the SMILES notation for carbon monoxide;[(Z)-1,2-dimethoxybut-2-enylidene]chromium?
The canonical SMILES for carbon monoxide;[(Z)-1,2-dimethoxybut-2-enylidene]chromium is C/C=C(\OC)C(=[Cr])OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[(Z)-1,2-dimethoxybut-2-enylidene]chromium?
The InChIKey is PAKLUINQODEUMX-LNYMVSAVSA-N. The full InChI is InChI=1S/C6H10O2.5CO.Cr/c1-4-6(8-3)5-7-2;5*1-2;/h4H,1-3H3;;;;;;/b6-4-;;;;;;.
What are the key properties of carbon monoxide;[(Z)-1,2-dimethoxybut-2-enylidene]chromium?
carbon monoxide;[(Z)-1,2-dimethoxybut-2-enylidene]chromium has a molecular weight of 306.19 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[(Z)-1,2-dimethoxybut-2-enylidene]chromium is sourced from PubChem (CID 134996074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).