carbon monoxide;[methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium

C15H12CrO6 — CID 13379864

IUPACcarbon monoxide;[methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium
SMILESCOC(=[Cr])C1=C(C)C2C=CC1C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C10H12O.5CO.Cr/c1-7-8-3-4-9(5-8)10(7)6-11-2;5*1-2;/h3-4,8-9H,5H2,1-2H3;;;;;;
InChIKeyJDLLIOHGRYUNBV-UHFFFAOYSA-N
MW340.25 g/mol
LogP1.64
Rot. Bonds2

About carbon monoxide;[methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium

carbon monoxide;[methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium (PubChem CID 13379864) has the molecular formula C15H12CrO6 and a molecular weight of 340.25 g/mol. Its IUPAC name is carbon monoxide;[methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium
PubChem CID13379864
Molecular FormulaC15H12CrO6
Molecular Weight340.25 g/mol
Exact Mass340.00
IUPAC Namecarbon monoxide;[methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium
SMILESCOC(=[Cr])C1=C(C)C2C=CC1C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C10H12O.5CO.Cr/c1-7-8-3-4-9(5-8)10(7)6-11-2;5*1-2;/h3-4,8-9H,5H2,1-2H3;;;;;;
InChIKeyJDLLIOHGRYUNBV-UHFFFAOYSA-N
XLogP1.64
TPSA108.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 51.64
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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Related Compounds

(s)-4-(Prop-1-en-2-yl)-1-[(vinyloxy)methyl]cyclohex-1-ene
CID 12140153
2-(Methoxymethyl)bicyclo[2.2.1]hepta-2,5-diene
CID 13395058
2-(Octoxymethyl)bicyclo[2.2.1]hepta-2,5-diene
CID 22754196
1,4-Bis(ethenoxymethyl)cyclohexene
CID 57204669
1,4-Bis(methoxymethyl)cyclohexene
CID 138471065
(1R,4R)-2,3,5-tris(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene
CID 10706752
(1S,4R)-2,3-bis(2-methoxyethoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene
CID 10709951
(1S,4R)-2,3-bis(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene
CID 10822820
[Methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium
CID 13379865
2,3-Bis(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene
CID 21638116
2,3,5-Tris(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene
CID 21638117
2,3-Bis(2-methoxyethoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene
CID 21638118

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium?
The IUPAC name of carbon monoxide;[methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium (CID 13379864) is carbon monoxide;[methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium.
What is the SMILES notation for carbon monoxide;[methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium?
The canonical SMILES for carbon monoxide;[methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium is COC(=[Cr])C1=C(C)C2C=CC1C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium?
The InChIKey is JDLLIOHGRYUNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.5CO.Cr/c1-7-8-3-4-9(5-8)10(7)6-11-2;5*1-2;/h3-4,8-9H,5H2,1-2H3;;;;;;.
What are the key properties of carbon monoxide;[methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium?
carbon monoxide;[methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium has a molecular weight of 340.25 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium is sourced from PubChem (CID 13379864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).