2-oxopropyl acetate;bis(vanadium)

C5H8O3V2 — CID 175077929

IUPAC2-oxopropyl acetate;bis(vanadium)
SMILESCC(=O)COC(C)=O.[V].[V]
InChIInChI=1S/C5H8O3.2V/c1-4(6)3-8-5(2)7;;/h3H2,1-2H3;;
InChIKeyKOQJKZOAJYELNT-UHFFFAOYSA-N
MW218.00 g/mol
LogP0.13
Rot. Bonds2

About 2-oxopropyl acetate;bis(vanadium)

2-oxopropyl acetate;bis(vanadium) (PubChem CID 175077929) has the molecular formula C5H8O3V2 and a molecular weight of 218.00 g/mol. Its IUPAC name is 2-oxopropyl acetate;bis(vanadium).

Molecular Properties

Compound Name2-oxopropyl acetate;bis(vanadium)
PubChem CID175077929
Molecular FormulaC5H8O3V2
Molecular Weight218.00 g/mol
Exact Mass217.94
IUPAC Name2-oxopropyl acetate;bis(vanadium)
SMILESCC(=O)COC(C)=O.[V].[V]
InChIInChI=1S/C5H8O3.2V/c1-4(6)3-8-5(2)7;;/h3H2,1-2H3;;
InChIKeyKOQJKZOAJYELNT-UHFFFAOYSA-N
XLogP0.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.00
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methanol;2-oxopropyl acetate
CID 174729097
bis(2-oxopropyl acetate);bis(propan-1-olate);titanium(2+)
CID 160735556
(4-acetyloxy-2,3-dioxobutyl) acetate
CID 10679601
acetyl acetate;acetyl 3-oxobutanoate;2-oxopropyl acetate
CID 158232955
(3-iodo-2-oxopropyl) acetate
CID 54597592
bis(2-acetyloxyacetic acid);palladium
CID 156697217
1-aminooxypropan-2-one
CID 20700160
(3-amino-2-oxopropyl) acetate
CID 22165502
2-oxopropyl 4-oxopentanoate
CID 56979422
[4-(acetyloxymethyl)-2-methylidene-3-oxopent-4-enyl] acetate
CID 54165995
bis(acetyloxymethyl)silylmethyl acetate
CID 154352505
[2-(iodoamino)-2-oxoethyl] acetate
CID 153083869

Frequently Asked Questions

What is the IUPAC name of 2-oxopropyl acetate;bis(vanadium)?
The IUPAC name of 2-oxopropyl acetate;bis(vanadium) (CID 175077929) is 2-oxopropyl acetate;bis(vanadium).
What is the SMILES notation for 2-oxopropyl acetate;bis(vanadium)?
The canonical SMILES for 2-oxopropyl acetate;bis(vanadium) is CC(=O)COC(C)=O.[V].[V].
What is the InChIKey of 2-oxopropyl acetate;bis(vanadium)?
The InChIKey is KOQJKZOAJYELNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.2V/c1-4(6)3-8-5(2)7;;/h3H2,1-2H3;;.
What are the key properties of 2-oxopropyl acetate;bis(vanadium)?
2-oxopropyl acetate;bis(vanadium) has a molecular weight of 218.00 g/mol, XLogP of 0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropyl acetate;bis(vanadium) is sourced from PubChem (CID 175077929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).