ethanol;4-hydroxypent-3-en-2-one;tantalum

C13H32O6Ta — CID 155886326

IUPACethanol;4-hydroxypent-3-en-2-one;tantalum
SMILESCC(=O)C=C(C)O.CCO.CCO.CCO.CCO.[Ta]
InChIInChI=1S/C5H8O2.4C2H6O.Ta/c1-4(6)3-5(2)7;4*1-2-3;/h3,6H,1-2H3;4*3H,2H2,1H3;
InChIKeyYMZNJFSVFJDLIR-UHFFFAOYSA-N
MW465.34 g/mol
LogP1.03
Rot. Bonds1

About ethanol;4-hydroxypent-3-en-2-one;tantalum

ethanol;4-hydroxypent-3-en-2-one;tantalum (PubChem CID 155886326) has the molecular formula C13H32O6Ta and a molecular weight of 465.34 g/mol. Its IUPAC name is ethanol;4-hydroxypent-3-en-2-one;tantalum.

Molecular Properties

Compound Nameethanol;4-hydroxypent-3-en-2-one;tantalum
PubChem CID155886326
Molecular FormulaC13H32O6Ta
Molecular Weight465.34 g/mol
Exact Mass465.17
IUPAC Nameethanol;4-hydroxypent-3-en-2-one;tantalum
SMILESCC(=O)C=C(C)O.CCO.CCO.CCO.CCO.[Ta]
InChIInChI=1S/C5H8O2.4C2H6O.Ta/c1-4(6)3-5(2)7;4*1-2-3;/h3,6H,1-2H3;4*3H,2H2,1H3;
InChIKeyYMZNJFSVFJDLIR-UHFFFAOYSA-N
XLogP1.03
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.34
LogP ≤ 51.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethanol;tris(4-hydroxypent-3-en-2-one);titanium
CID 176729441
ethanol;bis(4-hydroxypent-3-en-2-one);propan-2-ol;titanium
CID 171034835
pentakis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;iron
CID 176885193
hafnium;tetrakis((Z)-4-hydroxypent-3-en-2-one)
CID 11330624
tris((Z)-4-hydroxypent-3-en-2-one);ruthenium
CID 5364023
hafnium;tetrakis((E)-4-hydroxypent-3-en-2-one)
CID 53393529
tris(4-hydroxypent-3-en-2-one);thulium
CID 175647568
cobalt;tris((E)-4-hydroxypent-3-en-2-one)
CID 11100361
bis((Z)-4-hydroxypent-3-en-2-one);rhodium
CID 11358512
CID 6826582
CID 6826582
CID 10892468
CID 10892468
4-hydroxypent-3-en-2-one;titanium
CID 162678859

Frequently Asked Questions

What is the IUPAC name of ethanol;4-hydroxypent-3-en-2-one;tantalum?
The IUPAC name of ethanol;4-hydroxypent-3-en-2-one;tantalum (CID 155886326) is ethanol;4-hydroxypent-3-en-2-one;tantalum.
What is the SMILES notation for ethanol;4-hydroxypent-3-en-2-one;tantalum?
The canonical SMILES for ethanol;4-hydroxypent-3-en-2-one;tantalum is CC(=O)C=C(C)O.CCO.CCO.CCO.CCO.[Ta].
What is the InChIKey of ethanol;4-hydroxypent-3-en-2-one;tantalum?
The InChIKey is YMZNJFSVFJDLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.4C2H6O.Ta/c1-4(6)3-5(2)7;4*1-2-3;/h3,6H,1-2H3;4*3H,2H2,1H3;.
What are the key properties of ethanol;4-hydroxypent-3-en-2-one;tantalum?
ethanol;4-hydroxypent-3-en-2-one;tantalum has a molecular weight of 465.34 g/mol, XLogP of 1.03, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;4-hydroxypent-3-en-2-one;tantalum is sourced from PubChem (CID 155886326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).