carbon monoxide;[methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]chromium

C15H14CrO7 — CID 135002842

IUPACcarbon monoxide;[methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]chromium
SMILESCOC(=[Cr])C1=C(C)C2CCCOC12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C10H14O2.5CO.Cr/c1-7-8-4-3-5-12-10(8)9(7)6-11-2;5*1-2;/h8,10H,3-5H2,1-2H3;;;;;;
InChIKeyPPEGYYBJFXRZEZ-UHFFFAOYSA-N
MW358.27 g/mol
LogP1.25
Rot. Bonds2

About carbon monoxide;[methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]chromium

carbon monoxide;[methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]chromium (PubChem CID 135002842) has the molecular formula C15H14CrO7 and a molecular weight of 358.27 g/mol. Its IUPAC name is carbon monoxide;[methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]chromium
PubChem CID135002842
Molecular FormulaC15H14CrO7
Molecular Weight358.27 g/mol
Exact Mass358.01
IUPAC Namecarbon monoxide;[methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]chromium
SMILESCOC(=[Cr])C1=C(C)C2CCCOC12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C10H14O2.5CO.Cr/c1-7-8-4-3-5-12-10(8)9(7)6-11-2;5*1-2;/h8,10H,3-5H2,1-2H3;;;;;;
InChIKeyPPEGYYBJFXRZEZ-UHFFFAOYSA-N
XLogP1.25
TPSA117.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 51.25
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

Carbon monoxide;[methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]tungsten
CID 135002843
carbon monoxide;[methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium
CID 11102473
Carbon monoxide;[methoxy-(7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]tungsten
CID 135004187
[methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium
CID 11102474
[Methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]chromium
CID 15902808
[Methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]tungsten
CID 15902810
8-(Methoxymethyl)-7-methyl-2-oxabicyclo[4.2.0]oct-7-ene
CID 100957888
[8-(Methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-en-7-yl]-trimethylsilane
CID 100957890
(3R,4R)-4-ethoxy-1-(methoxymethyl)-2,3-dimethylcyclobutene
CID 100960142
(3S,4R)-4-ethoxy-1-(methoxymethyl)-2,3-dimethylcyclobutene
CID 100960143
8-(Methoxymethyl)-7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-ene
CID 101051436
[Methoxy-(7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]tungsten
CID 135004188

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]chromium?
The IUPAC name of carbon monoxide;[methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]chromium (CID 135002842) is carbon monoxide;[methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]chromium.
What is the SMILES notation for carbon monoxide;[methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]chromium?
The canonical SMILES for carbon monoxide;[methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]chromium is COC(=[Cr])C1=C(C)C2CCCOC12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]chromium?
The InChIKey is PPEGYYBJFXRZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2.5CO.Cr/c1-7-8-4-3-5-12-10(8)9(7)6-11-2;5*1-2;/h8,10H,3-5H2,1-2H3;;;;;;.
What are the key properties of carbon monoxide;[methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]chromium?
carbon monoxide;[methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]chromium has a molecular weight of 358.27 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]chromium is sourced from PubChem (CID 135002842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).