2-hydroxy-2H-pyran-5-one;bis(2-methylpropan-2-ol);oxovanadium

C13H26O6V — CID 134860334

IUPAC2-hydroxy-2H-pyran-5-one;bis(2-methylpropan-2-ol);oxovanadium
SMILESCC(C)(C)O.CC(C)(C)O.O=C1C=CC(O)OC1.O=[V]
InChIInChI=1S/C5H6O3.2C4H10O.O.V/c6-4-1-2-5(7)8-3-4;2*1-4(2,3)5;;/h1-2,5,7H,3H2;2*5H,1-3H3;;
InChIKeyRKCYYJQDKARJIU-UHFFFAOYSA-N
MW329.29 g/mol
LogP0.89
Rot. Bonds

About 2-hydroxy-2H-pyran-5-one;bis(2-methylpropan-2-ol);oxovanadium

2-hydroxy-2H-pyran-5-one;bis(2-methylpropan-2-ol);oxovanadium (PubChem CID 134860334) has the molecular formula C13H26O6V and a molecular weight of 329.29 g/mol. Its IUPAC name is 2-hydroxy-2H-pyran-5-one;bis(2-methylpropan-2-ol);oxovanadium.

Molecular Properties

Compound Name2-hydroxy-2H-pyran-5-one;bis(2-methylpropan-2-ol);oxovanadium
PubChem CID134860334
Molecular FormulaC13H26O6V
Molecular Weight329.29 g/mol
Exact Mass329.12
IUPAC Name2-hydroxy-2H-pyran-5-one;bis(2-methylpropan-2-ol);oxovanadium
SMILESCC(C)(C)O.CC(C)(C)O.O=C1C=CC(O)OC1.O=[V]
InChIInChI=1S/C5H6O3.2C4H10O.O.V/c6-4-1-2-5(7)8-3-4;2*1-4(2,3)5;;/h1-2,5,7H,3H2;2*5H,1-3H3;;
InChIKeyRKCYYJQDKARJIU-UHFFFAOYSA-N
XLogP0.89
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-hydroxy-2H-pyran-3(6H)-one
CID 10855419
6-Hydroxy-2,2-dimethyl-2H-pyran-3(6H)-one
CID 13929384
2H-Pyran-3(6H)-one, 6-(1,1-dimethylethoxy)-
CID 11137555
6-Hydroxy-2-methyl-2H-pyran-3(6H)-one
CID 13011787
(2R)-2-hydroxy-2H-pyran-5-one
CID 18649696
L-aculose
CID 71407800
Ctk0I7202
CID 11029859
6-Tert-butylperoxy-6-methylpyran-3-one
CID 11401384
(2S)-2-hydroxy-2H-pyran-5-one
CID 13011784
(6S)-2-hydroxy-6-methyl-2H-pyran-5-one
CID 13011788
2-hydroxy-4-methyl-2H-pyran-5-one
CID 130031729
2-hydroxy-3-methyl-2H-pyran-5-one
CID 166438067

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2H-pyran-5-one;bis(2-methylpropan-2-ol);oxovanadium?
The IUPAC name of 2-hydroxy-2H-pyran-5-one;bis(2-methylpropan-2-ol);oxovanadium (CID 134860334) is 2-hydroxy-2H-pyran-5-one;bis(2-methylpropan-2-ol);oxovanadium.
What is the SMILES notation for 2-hydroxy-2H-pyran-5-one;bis(2-methylpropan-2-ol);oxovanadium?
The canonical SMILES for 2-hydroxy-2H-pyran-5-one;bis(2-methylpropan-2-ol);oxovanadium is CC(C)(C)O.CC(C)(C)O.O=C1C=CC(O)OC1.O=[V].
What is the InChIKey of 2-hydroxy-2H-pyran-5-one;bis(2-methylpropan-2-ol);oxovanadium?
The InChIKey is RKCYYJQDKARJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3.2C4H10O.O.V/c6-4-1-2-5(7)8-3-4;2*1-4(2,3)5;;/h1-2,5,7H,3H2;2*5H,1-3H3;;.
What are the key properties of 2-hydroxy-2H-pyran-5-one;bis(2-methylpropan-2-ol);oxovanadium?
2-hydroxy-2H-pyran-5-one;bis(2-methylpropan-2-ol);oxovanadium has a molecular weight of 329.29 g/mol, XLogP of 0.89, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2H-pyran-5-one;bis(2-methylpropan-2-ol);oxovanadium is sourced from PubChem (CID 134860334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).