tris(4-oxopentanoate);vanadium

C15H21O9V-3 — CID 157360073

IUPACtris(4-oxopentanoate);vanadium
SMILESCC(=O)CCC(=O)[O-].CC(=O)CCC(=O)[O-].CC(=O)CCC(=O)[O-].[V]
InChIInChI=1S/3C5H8O3.V/c3*1-4(6)2-3-5(7)8;/h3*2-3H2,1H3,(H,7,8);/p-3
InChIKeyCBVHDHVCPCMLGH-UHFFFAOYSA-K
MW396.27 g/mol
LogP-2.69
Rot. Bonds9

About tris(4-oxopentanoate);vanadium

tris(4-oxopentanoate);vanadium (PubChem CID 157360073) has the molecular formula C15H21O9V-3 and a molecular weight of 396.27 g/mol. Its IUPAC name is tris(4-oxopentanoate);vanadium.

Molecular Properties

Compound Nametris(4-oxopentanoate);vanadium
PubChem CID157360073
Molecular FormulaC15H21O9V-3
Molecular Weight396.27 g/mol
Exact Mass396.06
IUPAC Nametris(4-oxopentanoate);vanadium
SMILESCC(=O)CCC(=O)[O-].CC(=O)CCC(=O)[O-].CC(=O)CCC(=O)[O-].[V]
InChIInChI=1S/3C5H8O3.V/c3*1-4(6)2-3-5(7)8;/h3*2-3H2,1H3,(H,7,8);/p-3
InChIKeyCBVHDHVCPCMLGH-UHFFFAOYSA-K
XLogP-2.69
TPSA171.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 5-2.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

copper bis(4-oxopentanoate)
CID 86599724
formaldehyde;tris(4-oxopentanoate);rhodium(3+)
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sodium;4-oxopentanoate;4-oxopentanoic acid
CID 159759335
4-oxopentanoate;pentanoate
CID 21431295
hexane-2,5-dione
CID 8035
disodium;acetic acid;butanedioate
CID 173373024
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CID 87096007
disodium;butanedioate;methanol
CID 160588999
bis(butanedioate);osmium(4+)
CID 159559487
pentakis(3-oxobutanoate);pentakis(oxygen(2-));tris(vanadium)
CID 19008568
azanium;lithium;butanedioate
CID 18352245

Frequently Asked Questions

What is the IUPAC name of tris(4-oxopentanoate);vanadium?
The IUPAC name of tris(4-oxopentanoate);vanadium (CID 157360073) is tris(4-oxopentanoate);vanadium.
What is the SMILES notation for tris(4-oxopentanoate);vanadium?
The canonical SMILES for tris(4-oxopentanoate);vanadium is CC(=O)CCC(=O)[O-].CC(=O)CCC(=O)[O-].CC(=O)CCC(=O)[O-].[V].
What is the InChIKey of tris(4-oxopentanoate);vanadium?
The InChIKey is CBVHDHVCPCMLGH-UHFFFAOYSA-K. The full InChI is InChI=1S/3C5H8O3.V/c3*1-4(6)2-3-5(7)8;/h3*2-3H2,1H3,(H,7,8);/p-3.
What are the key properties of tris(4-oxopentanoate);vanadium?
tris(4-oxopentanoate);vanadium has a molecular weight of 396.27 g/mol, XLogP of -2.69, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-oxopentanoate);vanadium is sourced from PubChem (CID 157360073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).