tris((Z)-1,4-dihydroxypent-3-en-2-one);vanadium

C15H24O9V — CID 137224311

IUPACtris((Z)-1,4-dihydroxypent-3-en-2-one);vanadium
SMILESC/C(O)=C/C(=O)CO.C/C(O)=C/C(=O)CO.C/C(O)=C/C(=O)CO.[V]
InChIInChI=1S/3C5H8O3.V/c3*1-4(7)2-5(8)3-6;/h3*2,6-7H,3H2,1H3;/b3*4-2-;
InChIKeyUKOHBPIZHXVZAM-DJFUMVPSSA-N
MW399.29 g/mol
LogP0.03
Rot. Bonds6

About tris((Z)-1,4-dihydroxypent-3-en-2-one);vanadium

tris((Z)-1,4-dihydroxypent-3-en-2-one);vanadium (PubChem CID 137224311) has the molecular formula C15H24O9V and a molecular weight of 399.29 g/mol. Its IUPAC name is tris((Z)-1,4-dihydroxypent-3-en-2-one);vanadium.

Molecular Properties

Compound Nametris((Z)-1,4-dihydroxypent-3-en-2-one);vanadium
PubChem CID137224311
Molecular FormulaC15H24O9V
Molecular Weight399.29 g/mol
Exact Mass399.09
IUPAC Nametris((Z)-1,4-dihydroxypent-3-en-2-one);vanadium
SMILESC/C(O)=C/C(=O)CO.C/C(O)=C/C(=O)CO.C/C(O)=C/C(=O)CO.[V]
InChIInChI=1S/3C5H8O3.V/c3*1-4(7)2-5(8)3-6;/h3*2,6-7H,3H2,1H3;/b3*4-2-;
InChIKeyUKOHBPIZHXVZAM-DJFUMVPSSA-N
XLogP0.03
TPSA172.59 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.29
LogP ≤ 50.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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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Frequently Asked Questions

What is the IUPAC name of tris((Z)-1,4-dihydroxypent-3-en-2-one);vanadium?
The IUPAC name of tris((Z)-1,4-dihydroxypent-3-en-2-one);vanadium (CID 137224311) is tris((Z)-1,4-dihydroxypent-3-en-2-one);vanadium.
What is the SMILES notation for tris((Z)-1,4-dihydroxypent-3-en-2-one);vanadium?
The canonical SMILES for tris((Z)-1,4-dihydroxypent-3-en-2-one);vanadium is C/C(O)=C/C(=O)CO.C/C(O)=C/C(=O)CO.C/C(O)=C/C(=O)CO.[V].
What is the InChIKey of tris((Z)-1,4-dihydroxypent-3-en-2-one);vanadium?
The InChIKey is UKOHBPIZHXVZAM-DJFUMVPSSA-N. The full InChI is InChI=1S/3C5H8O3.V/c3*1-4(7)2-5(8)3-6;/h3*2,6-7H,3H2,1H3;/b3*4-2-;.
What are the key properties of tris((Z)-1,4-dihydroxypent-3-en-2-one);vanadium?
tris((Z)-1,4-dihydroxypent-3-en-2-one);vanadium has a molecular weight of 399.29 g/mol, XLogP of 0.03, 6 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris((Z)-1,4-dihydroxypent-3-en-2-one);vanadium is sourced from PubChem (CID 137224311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).