4-hydroxypent-3-en-2-one;titanium

C5H8O2Ti — CID 162678859

IUPAC4-hydroxypent-3-en-2-one;titanium
SMILESCC(=O)C=C(C)O.[Ti]
InChIInChI=1S/C5H8O2.Ti/c1-4(6)3-5(2)7;/h3,6H,1-2H3;
InChIKeyFCIYXEHVZYFBSN-UHFFFAOYSA-N
MW147.98 g/mol
LogP1.03
Rot. Bonds1

About 4-hydroxypent-3-en-2-one;titanium

4-hydroxypent-3-en-2-one;titanium (PubChem CID 162678859) has the molecular formula C5H8O2Ti and a molecular weight of 147.98 g/mol. Its IUPAC name is 4-hydroxypent-3-en-2-one;titanium.

Molecular Properties

Compound Name4-hydroxypent-3-en-2-one;titanium
PubChem CID162678859
Molecular FormulaC5H8O2Ti
Molecular Weight147.98 g/mol
Exact Mass148.00
IUPAC Name4-hydroxypent-3-en-2-one;titanium
SMILESCC(=O)C=C(C)O.[Ti]
InChIInChI=1S/C5H8O2.Ti/c1-4(6)3-5(2)7;/h3,6H,1-2H3;
InChIKeyFCIYXEHVZYFBSN-UHFFFAOYSA-N
XLogP1.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.98
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

pentakis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;iron
CID 176885193
hafnium;tetrakis((E)-4-hydroxypent-3-en-2-one)
CID 53393529
tris(4-hydroxypent-3-en-2-one);thulium
CID 175647568
hafnium;tetrakis((Z)-4-hydroxypent-3-en-2-one)
CID 11330624
tris((Z)-4-hydroxypent-3-en-2-one);ruthenium
CID 5364023
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
tris((Z)-4-hydroxypent-3-en-2-one);manganese(3+)
CID 6477710
bis((Z)-4-hydroxypent-3-en-2-one);nickel
CID 5359853
europium;tris(4-hydroxypent-3-en-2-one)
CID 3566312

Frequently Asked Questions

What is the IUPAC name of 4-hydroxypent-3-en-2-one;titanium?
The IUPAC name of 4-hydroxypent-3-en-2-one;titanium (CID 162678859) is 4-hydroxypent-3-en-2-one;titanium.
What is the SMILES notation for 4-hydroxypent-3-en-2-one;titanium?
The canonical SMILES for 4-hydroxypent-3-en-2-one;titanium is CC(=O)C=C(C)O.[Ti].
What is the InChIKey of 4-hydroxypent-3-en-2-one;titanium?
The InChIKey is FCIYXEHVZYFBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.Ti/c1-4(6)3-5(2)7;/h3,6H,1-2H3;.
What are the key properties of 4-hydroxypent-3-en-2-one;titanium?
4-hydroxypent-3-en-2-one;titanium has a molecular weight of 147.98 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxypent-3-en-2-one;titanium is sourced from PubChem (CID 162678859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).