carbon monoxide;iron;5-methylcyclopenta-1,3-diene;trimethyl phosphite

C11H17FeO5P — CID 11001589

IUPACcarbon monoxide;iron;5-methylcyclopenta-1,3-diene;trimethyl phosphite
SMILESCC1C=CC=C1.COP(OC)OC.[C-]#[O+].[C-]#[O+].[Fe]
InChIInChI=1S/C6H8.C3H9O3P.2CO.Fe/c1-6-4-2-3-5-6;1-4-7(5-2)6-3;2*1-2;/h2-6H,1H3;1-3H3;;;
InChIKeyCLMLLCDTMYJZHN-UHFFFAOYSA-N
MW316.07 g/mol
LogP2.82
Rot. Bonds3

About carbon monoxide;iron;5-methylcyclopenta-1,3-diene;trimethyl phosphite

carbon monoxide;iron;5-methylcyclopenta-1,3-diene;trimethyl phosphite (PubChem CID 11001589) has the molecular formula C11H17FeO5P and a molecular weight of 316.07 g/mol. Its IUPAC name is carbon monoxide;iron;5-methylcyclopenta-1,3-diene;trimethyl phosphite.

Molecular Properties

Compound Namecarbon monoxide;iron;5-methylcyclopenta-1,3-diene;trimethyl phosphite
PubChem CID11001589
Molecular FormulaC11H17FeO5P
Molecular Weight316.07 g/mol
Exact Mass316.02
IUPAC Namecarbon monoxide;iron;5-methylcyclopenta-1,3-diene;trimethyl phosphite
SMILESCC1C=CC=C1.COP(OC)OC.[C-]#[O+].[C-]#[O+].[Fe]
InChIInChI=1S/C6H8.C3H9O3P.2CO.Fe/c1-6-4-2-3-5-6;1-4-7(5-2)6-3;2*1-2;/h2-6H,1H3;1-3H3;;;
InChIKeyCLMLLCDTMYJZHN-UHFFFAOYSA-N
XLogP2.82
TPSA67.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.07
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 134899245
CID 134899245
Dimethyl hydrogen phosphite;1,2-dimethyl-5-methylidenecyclopenta-1,3-diene
CID 158685668
2,2,2-Trimethoxy-3-methylidene-5-propan-2-yl-1,2lambda5-oxaphosphole
CID 23418981

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;iron;5-methylcyclopenta-1,3-diene;trimethyl phosphite?
The IUPAC name of carbon monoxide;iron;5-methylcyclopenta-1,3-diene;trimethyl phosphite (CID 11001589) is carbon monoxide;iron;5-methylcyclopenta-1,3-diene;trimethyl phosphite.
What is the SMILES notation for carbon monoxide;iron;5-methylcyclopenta-1,3-diene;trimethyl phosphite?
The canonical SMILES for carbon monoxide;iron;5-methylcyclopenta-1,3-diene;trimethyl phosphite is CC1C=CC=C1.COP(OC)OC.[C-]#[O+].[C-]#[O+].[Fe].
What is the InChIKey of carbon monoxide;iron;5-methylcyclopenta-1,3-diene;trimethyl phosphite?
The InChIKey is CLMLLCDTMYJZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8.C3H9O3P.2CO.Fe/c1-6-4-2-3-5-6;1-4-7(5-2)6-3;2*1-2;/h2-6H,1H3;1-3H3;;;.
What are the key properties of carbon monoxide;iron;5-methylcyclopenta-1,3-diene;trimethyl phosphite?
carbon monoxide;iron;5-methylcyclopenta-1,3-diene;trimethyl phosphite has a molecular weight of 316.07 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;iron;5-methylcyclopenta-1,3-diene;trimethyl phosphite is sourced from PubChem (CID 11001589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).