bis(2-methylprop-1-ene);oxomethylideneiron

C9H16FeO — CID 159554795

IUPACbis(2-methylprop-1-ene);oxomethylideneiron
SMILESC=C(C)C.C=C(C)C.O=C=[Fe]
InChIInChI=1S/2C4H8.CO.Fe/c2*1-4(2)3;1-2;/h2*1H2,2-3H3;;
InChIKeyQWKVKJRJDGWTJW-UHFFFAOYSA-N
MW196.07 g/mol
LogP2.77
Rot. Bonds

About bis(2-methylprop-1-ene);oxomethylideneiron

bis(2-methylprop-1-ene);oxomethylideneiron (PubChem CID 159554795) has the molecular formula C9H16FeO and a molecular weight of 196.07 g/mol. Its IUPAC name is bis(2-methylprop-1-ene);oxomethylideneiron.

Molecular Properties

Compound Namebis(2-methylprop-1-ene);oxomethylideneiron
PubChem CID159554795
Molecular FormulaC9H16FeO
Molecular Weight196.07 g/mol
Exact Mass196.06
IUPAC Namebis(2-methylprop-1-ene);oxomethylideneiron
SMILESC=C(C)C.C=C(C)C.O=C=[Fe]
InChIInChI=1S/2C4H8.CO.Fe/c2*1-4(2)3;1-2;/h2*1H2,2-3H3;;
InChIKeyQWKVKJRJDGWTJW-UHFFFAOYSA-N
XLogP2.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.07
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methane;tetrakis(2-methylprop-1-ene)
CID 159196476
ethane;tris(2-methylprop-1-ene)
CID 144520420
oxomethylideneiron;pentahydrate
CID 175558678
acetic acid;2-methylprop-1-ene
CID 139328555
lithium;hydride;2-methylprop-1-ene
CID 174274839
acetic acid;ethenone
CID 174780267
isocyanic acid;2-methylprop-2-enenitrile
CID 172858040
bis(2-methylprop-1-ene);propane
CID 159493997
bis(N,N-dimethylmethanamine);2-methylprop-1-ene
CID 174752405
bis(2-methylprop-1-ene);phosphorous acid
CID 175970460
CID 13203447
CID 13203447
ethene;propan-2-one;titanium
CID 175481260

Frequently Asked Questions

What is the IUPAC name of bis(2-methylprop-1-ene);oxomethylideneiron?
The IUPAC name of bis(2-methylprop-1-ene);oxomethylideneiron (CID 159554795) is bis(2-methylprop-1-ene);oxomethylideneiron.
What is the SMILES notation for bis(2-methylprop-1-ene);oxomethylideneiron?
The canonical SMILES for bis(2-methylprop-1-ene);oxomethylideneiron is C=C(C)C.C=C(C)C.O=C=[Fe].
What is the InChIKey of bis(2-methylprop-1-ene);oxomethylideneiron?
The InChIKey is QWKVKJRJDGWTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8.CO.Fe/c2*1-4(2)3;1-2;/h2*1H2,2-3H3;;.
What are the key properties of bis(2-methylprop-1-ene);oxomethylideneiron?
bis(2-methylprop-1-ene);oxomethylideneiron has a molecular weight of 196.07 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylprop-1-ene);oxomethylideneiron is sourced from PubChem (CID 159554795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).