actinium;3-methylbut-2-en-2-ol

C5H10AcO — CID 22892781

IUPACactinium;3-methylbut-2-en-2-ol
SMILESCC(C)=C(C)O.[Ac]
InChIInChI=1S/C5H10O.Ac/c1-4(2)5(3)6;/h6H,1-3H3;
InChIKeyNAWFIVOJEAXUKU-UHFFFAOYSA-N
MW313.13 g/mol
LogP1.86
Rot. Bonds

About actinium;3-methylbut-2-en-2-ol

actinium;3-methylbut-2-en-2-ol (PubChem CID 22892781) has the molecular formula C5H10AcO and a molecular weight of 313.13 g/mol. Its IUPAC name is actinium;3-methylbut-2-en-2-ol.

Molecular Properties

Compound Nameactinium;3-methylbut-2-en-2-ol
PubChem CID22892781
Molecular FormulaC5H10AcO
Molecular Weight313.13 g/mol
Exact Mass313.10
IUPAC Nameactinium;3-methylbut-2-en-2-ol
SMILESCC(C)=C(C)O.[Ac]
InChIInChI=1S/C5H10O.Ac/c1-4(2)5(3)6;/h6H,1-3H3;
InChIKeyNAWFIVOJEAXUKU-UHFFFAOYSA-N
XLogP1.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.13
LogP ≤ 51.86
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 actinium;3-methylbut-2-en-2-ol?
The IUPAC name of actinium;3-methylbut-2-en-2-ol (CID 22892781) is actinium;3-methylbut-2-en-2-ol.
What is the SMILES notation for actinium;3-methylbut-2-en-2-ol?
The canonical SMILES for actinium;3-methylbut-2-en-2-ol is CC(C)=C(C)O.[Ac].
What is the InChIKey of actinium;3-methylbut-2-en-2-ol?
The InChIKey is NAWFIVOJEAXUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.Ac/c1-4(2)5(3)6;/h6H,1-3H3;.
What are the key properties of actinium;3-methylbut-2-en-2-ol?
actinium;3-methylbut-2-en-2-ol has a molecular weight of 313.13 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;3-methylbut-2-en-2-ol is sourced from PubChem (CID 22892781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).