actinium;[3-[(E)-prop-1-enyl]oxiran-2-yl]methanol

C6H10AcO2 — CID 59875225

IUPACactinium;[3-[(E)-prop-1-enyl]oxiran-2-yl]methanol
SMILESC/C=C/C1OC1CO.[Ac]
InChIInChI=1S/C6H10O2.Ac/c1-2-3-5-6(4-7)8-5;/h2-3,5-7H,4H2,1H3;/b3-2+;
InChIKeyVTVYFOYHKCLSMW-SQQVDAMQSA-N
MW341.14 g/mol
LogP0.32
Rot. Bonds2

About actinium;[3-[(E)-prop-1-enyl]oxiran-2-yl]methanol

actinium;[3-[(E)-prop-1-enyl]oxiran-2-yl]methanol (PubChem CID 59875225) has the molecular formula C6H10AcO2 and a molecular weight of 341.14 g/mol. Its IUPAC name is actinium;[3-[(E)-prop-1-enyl]oxiran-2-yl]methanol.

Molecular Properties

Compound Nameactinium;[3-[(E)-prop-1-enyl]oxiran-2-yl]methanol
PubChem CID59875225
Molecular FormulaC6H10AcO2
Molecular Weight341.14 g/mol
Exact Mass341.10
IUPAC Nameactinium;[3-[(E)-prop-1-enyl]oxiran-2-yl]methanol
SMILESC/C=C/C1OC1CO.[Ac]
InChIInChI=1S/C6H10O2.Ac/c1-2-3-5-6(4-7)8-5;/h2-3,5-7H,4H2,1H3;/b3-2+;
InChIKeyVTVYFOYHKCLSMW-SQQVDAMQSA-N
XLogP0.32
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.14
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of actinium;[3-[(E)-prop-1-enyl]oxiran-2-yl]methanol?
The IUPAC name of actinium;[3-[(E)-prop-1-enyl]oxiran-2-yl]methanol (CID 59875225) is actinium;[3-[(E)-prop-1-enyl]oxiran-2-yl]methanol.
What is the SMILES notation for actinium;[3-[(E)-prop-1-enyl]oxiran-2-yl]methanol?
The canonical SMILES for actinium;[3-[(E)-prop-1-enyl]oxiran-2-yl]methanol is C/C=C/C1OC1CO.[Ac].
What is the InChIKey of actinium;[3-[(E)-prop-1-enyl]oxiran-2-yl]methanol?
The InChIKey is VTVYFOYHKCLSMW-SQQVDAMQSA-N. The full InChI is InChI=1S/C6H10O2.Ac/c1-2-3-5-6(4-7)8-5;/h2-3,5-7H,4H2,1H3;/b3-2+;.
What are the key properties of actinium;[3-[(E)-prop-1-enyl]oxiran-2-yl]methanol?
actinium;[3-[(E)-prop-1-enyl]oxiran-2-yl]methanol has a molecular weight of 341.14 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[3-[(E)-prop-1-enyl]oxiran-2-yl]methanol is sourced from PubChem (CID 59875225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).