cerium;2-methylprop-1-en-1-ol

C4H8CeO — CID 175572583

IUPACcerium;2-methylprop-1-en-1-ol
SMILESCC(C)=CO.[Ce]
InChIInChI=1S/C4H8O.Ce/c1-4(2)3-5;/h3,5H,1-2H3;
InChIKeyAEEYZQDIAAVGBC-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.47
Rot. Bonds

About cerium;2-methylprop-1-en-1-ol

cerium;2-methylprop-1-en-1-ol (PubChem CID 175572583) has the molecular formula C4H8CeO and a molecular weight of 212.22 g/mol. Its IUPAC name is cerium;2-methylprop-1-en-1-ol.

Molecular Properties

Compound Namecerium;2-methylprop-1-en-1-ol
PubChem CID175572583
Molecular FormulaC4H8CeO
Molecular Weight212.22 g/mol
Exact Mass211.96
IUPAC Namecerium;2-methylprop-1-en-1-ol
SMILESCC(C)=CO.[Ce]
InChIInChI=1S/C4H8O.Ce/c1-4(2)3-5;/h3,5H,1-2H3;
InChIKeyAEEYZQDIAAVGBC-UHFFFAOYSA-N
XLogP1.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cerium;2-methylprop-1-en-1-ol?
The IUPAC name of cerium;2-methylprop-1-en-1-ol (CID 175572583) is cerium;2-methylprop-1-en-1-ol.
What is the SMILES notation for cerium;2-methylprop-1-en-1-ol?
The canonical SMILES for cerium;2-methylprop-1-en-1-ol is CC(C)=CO.[Ce].
What is the InChIKey of cerium;2-methylprop-1-en-1-ol?
The InChIKey is AEEYZQDIAAVGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.Ce/c1-4(2)3-5;/h3,5H,1-2H3;.
What are the key properties of cerium;2-methylprop-1-en-1-ol?
cerium;2-methylprop-1-en-1-ol has a molecular weight of 212.22 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cerium;2-methylprop-1-en-1-ol is sourced from PubChem (CID 175572583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).