carbon monoxide;(7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium

C11H8CrO7 — CID 11141228

IUPACcarbon monoxide;(7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium
SMILESCC1=CC(=[Cr])OCCO1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C6H8O2.5CO.Cr/c1-6-2-3-7-4-5-8-6;5*1-2;/h2H,4-5H2,1H3;;;;;;
InChIKeyYLYMEULZVQYURQ-UHFFFAOYSA-N
MW304.17 g/mol
LogP0.43
Rot. Bonds

About carbon monoxide;(7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium

carbon monoxide;(7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium (PubChem CID 11141228) has the molecular formula C11H8CrO7 and a molecular weight of 304.17 g/mol. Its IUPAC name is carbon monoxide;(7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium.

Molecular Properties

Compound Namecarbon monoxide;(7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium
PubChem CID11141228
Molecular FormulaC11H8CrO7
Molecular Weight304.17 g/mol
Exact Mass303.97
IUPAC Namecarbon monoxide;(7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium
SMILESCC1=CC(=[Cr])OCCO1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C6H8O2.5CO.Cr/c1-6-2-3-7-4-5-8-6;5*1-2;/h2H,4-5H2,1H3;;;;;;
InChIKeyYLYMEULZVQYURQ-UHFFFAOYSA-N
XLogP0.43
TPSA117.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 50.43
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'}

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Related Compounds

2,3-difluoro-2,3,7-trimethyl-5H-1,4-dioxepine
CID 20649605
carbon monoxide;[(Z)-1,2-dimethoxybut-2-enylidene]chromium
CID 134996074
(Z)-1,2,4-trimethoxybut-2-ene
CID 5356164
7-Methyl-2,3-dihydro-5H-1,4-dioxepine
CID 536093
3-Methoxy-2,5-dihydrofuran
CID 11073353
1,2-Dimethoxybut-2-ene
CID 57022838
(2Z)-2-ethenyl-3-[(E)-prop-1-enyl]-1,4,7,10,13-pentaoxacyclopentadec-2-ene
CID 89639509
2-Ethenyl-3-prop-1-enyl-1,4,7,10,13-pentaoxacyclopentadec-2-ene
CID 123395759
1,2-Bis(ethenoxy)but-2-ene
CID 141006113
1,2-Dibutoxybut-2-ene
CID 141019727
2,3-Dihydrocyclohepta[b][1,4]dioxine;ethane
CID 142933443
(2Z)-2-ethenyl-3-[(Z)-prop-1-enyl]-1,4,7,10,13-pentaoxacyclopentadec-2-ene
CID 143702460

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;(7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium?
The IUPAC name of carbon monoxide;(7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium (CID 11141228) is carbon monoxide;(7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium.
What is the SMILES notation for carbon monoxide;(7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium?
The canonical SMILES for carbon monoxide;(7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium is CC1=CC(=[Cr])OCCO1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;(7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium?
The InChIKey is YLYMEULZVQYURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2.5CO.Cr/c1-6-2-3-7-4-5-8-6;5*1-2;/h2H,4-5H2,1H3;;;;;;.
What are the key properties of carbon monoxide;(7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium?
carbon monoxide;(7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium has a molecular weight of 304.17 g/mol, XLogP of 0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;(7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium is sourced from PubChem (CID 11141228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).