(5R)-5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane-2,3,4-trione

C10H14O6 — CID 90305836

IUPAC(5R)-5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane-2,3,4-trione
SMILESCC(C)(C)OC[C@H](O)[C@H]1OC(=O)C(=O)C1=O
InChIInChI=1S/C10H14O6/c1-10(2,3)15-4-5(11)8-6(12)7(13)9(14)16-8/h5,8,11H,4H2,1-3H3/t5-,8+/m0/s1
InChIKeyIZQIDRUQTAAFJT-YLWLKBPMSA-N
MW230.22 g/mol
LogP-0.77
Rot. Bonds3

About (5R)-5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane-2,3,4-trione

(5R)-5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane-2,3,4-trione (PubChem CID 90305836) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is (5R)-5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane-2,3,4-trione.

Molecular Properties

Compound Name(5R)-5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane-2,3,4-trione
PubChem CID90305836
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name(5R)-5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane-2,3,4-trione
SMILESCC(C)(C)OC[C@H](O)[C@H]1OC(=O)C(=O)C1=O
InChIInChI=1S/C10H14O6/c1-10(2,3)15-4-5(11)8-6(12)7(13)9(14)16-8/h5,8,11H,4H2,1-3H3/t5-,8+/m0/s1
InChIKeyIZQIDRUQTAAFJT-YLWLKBPMSA-N
XLogP-0.77
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-(2-aminooxy-1-hydroxyethyl)oxolane-2,3,4-trione
CID 123765644
(5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-trione;dihydrate
CID 90117374
(5R)-5-[(1S)-2-hydroxy-1-methoxyethyl]oxolane-2,3,4-trione
CID 89347160
[2-(3,4-dimethyl-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] formate
CID 23538080
1-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105102501
2-[1-hydroxy-2-(oxomethoxy)ethyl]-3,4-dimethyl-2H-furan-5-one;yttrium(3+)
CID 23538079
[2-hydroxy-2-(3-hydroxy-4-methoxy-5-oxo-2H-furan-2-yl)ethyl] acetate
CID 54732327
[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] propanoate
CID 71656699
2-(1-hydroxy-2-trimethylsilyloxyethyl)-4-methyl-3-trimethylsilyloxy-2H-furan-5-one
CID 59470607
1-[(2,5-dimethylpyrrol-1-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 79101281
(3R)-3-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5,6-dimethoxy-3H-2-benzofuran-1-one
CID 57409059
(2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-(3-methylbutoxy)ethyl]-2H-furan-5-one
CID 54685948

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane-2,3,4-trione?
The IUPAC name of (5R)-5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane-2,3,4-trione (CID 90305836) is (5R)-5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane-2,3,4-trione.
What is the SMILES notation for (5R)-5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane-2,3,4-trione?
The canonical SMILES for (5R)-5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane-2,3,4-trione is CC(C)(C)OC[C@H](O)[C@H]1OC(=O)C(=O)C1=O.
What is the InChIKey of (5R)-5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane-2,3,4-trione?
The InChIKey is IZQIDRUQTAAFJT-YLWLKBPMSA-N. The full InChI is InChI=1S/C10H14O6/c1-10(2,3)15-4-5(11)8-6(12)7(13)9(14)16-8/h5,8,11H,4H2,1-3H3/t5-,8+/m0/s1.
What are the key properties of (5R)-5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane-2,3,4-trione?
(5R)-5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane-2,3,4-trione has a molecular weight of 230.22 g/mol, XLogP of -0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane-2,3,4-trione is sourced from PubChem (CID 90305836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).