(3-hydroxy-2,3-dimethylbutan-2-yl) 2-(hydroxyamino)oxy-2-methylpropanoate

C10H21NO5 — CID 134443036

IUPAC(3-hydroxy-2,3-dimethylbutan-2-yl) 2-(hydroxyamino)oxy-2-methylpropanoate
SMILESCC(C)(ONO)C(=O)OC(C)(C)C(C)(C)O
InChIInChI=1S/C10H21NO5/c1-8(2,16-11-14)7(12)15-10(5,6)9(3,4)13/h11,13-14H,1-6H3
InChIKeyYTBRBAJRZWHQBO-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.77
Rot. Bonds5

About (3-hydroxy-2,3-dimethylbutan-2-yl) 2-(hydroxyamino)oxy-2-methylpropanoate

(3-hydroxy-2,3-dimethylbutan-2-yl) 2-(hydroxyamino)oxy-2-methylpropanoate (PubChem CID 134443036) has the molecular formula C10H21NO5 and a molecular weight of 235.28 g/mol. Its IUPAC name is (3-hydroxy-2,3-dimethylbutan-2-yl) 2-(hydroxyamino)oxy-2-methylpropanoate.

Molecular Properties

Compound Name(3-hydroxy-2,3-dimethylbutan-2-yl) 2-(hydroxyamino)oxy-2-methylpropanoate
PubChem CID134443036
Molecular FormulaC10H21NO5
Molecular Weight235.28 g/mol
Exact Mass235.14
IUPAC Name(3-hydroxy-2,3-dimethylbutan-2-yl) 2-(hydroxyamino)oxy-2-methylpropanoate
SMILESCC(C)(ONO)C(=O)OC(C)(C)C(C)(C)O
InChIInChI=1S/C10H21NO5/c1-8(2,16-11-14)7(12)15-10(5,6)9(3,4)13/h11,13-14H,1-6H3
InChIKeyYTBRBAJRZWHQBO-UHFFFAOYSA-N
XLogP0.77
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis(3-hydroxy-2,3-dimethylbutan-2-yl) carbonate
CID 118293174
lithium;potassium;bis(2,3,3-trimethylbutan-2-yl) propanedioate;hydride
CID 175224963
[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 3-methylbut-3-enoate
CID 171736291
(1,1,1-trifluoro-2-methylpropan-2-yl) 2,2-dimethylpropanoate
CID 130411404
methyl 2-tert-butyl-2,3,3-trimethylbutanoate
CID 12696477
CID 155724244
CID 155724244
2,3,3-trimethylpentan-2-yl 2-tert-butylsulfanyloxy-2-methylpropanoate
CID 154930692
3-methyl-3-[(2-methyl-3-oxobutan-2-yl)oxyamino]oxybutan-2-one
CID 170257893
methyl 2-ethylsulfanylcarbonyloxy-2-methylpropanoate
CID 166094811
2,3,3-trimethylbutan-2-yl 2,4,4-trimethyl-2-propan-2-ylpentanoate
CID 123494424
2-chloro-2-methylpropanoic acid;2-methylprop-2-enoic acid;1,1,1-trichloro-2-methylpropan-2-ol;(1,1,1-trichloro-2-methylpropan-2-yl) 2-chloro-2-methylpropanoate;(1,1,1-trichloro-2-methylpropan-2-yl) 2-methylprop-2-enoate
CID 159250969
bis(2,2,3,4,4-pentamethylpentan-3-yl) propanedioate
CID 175441685

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2,3-dimethylbutan-2-yl) 2-(hydroxyamino)oxy-2-methylpropanoate?
The IUPAC name of (3-hydroxy-2,3-dimethylbutan-2-yl) 2-(hydroxyamino)oxy-2-methylpropanoate (CID 134443036) is (3-hydroxy-2,3-dimethylbutan-2-yl) 2-(hydroxyamino)oxy-2-methylpropanoate.
What is the SMILES notation for (3-hydroxy-2,3-dimethylbutan-2-yl) 2-(hydroxyamino)oxy-2-methylpropanoate?
The canonical SMILES for (3-hydroxy-2,3-dimethylbutan-2-yl) 2-(hydroxyamino)oxy-2-methylpropanoate is CC(C)(ONO)C(=O)OC(C)(C)C(C)(C)O.
What is the InChIKey of (3-hydroxy-2,3-dimethylbutan-2-yl) 2-(hydroxyamino)oxy-2-methylpropanoate?
The InChIKey is YTBRBAJRZWHQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5/c1-8(2,16-11-14)7(12)15-10(5,6)9(3,4)13/h11,13-14H,1-6H3.
What are the key properties of (3-hydroxy-2,3-dimethylbutan-2-yl) 2-(hydroxyamino)oxy-2-methylpropanoate?
(3-hydroxy-2,3-dimethylbutan-2-yl) 2-(hydroxyamino)oxy-2-methylpropanoate has a molecular weight of 235.28 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2,3-dimethylbutan-2-yl) 2-(hydroxyamino)oxy-2-methylpropanoate is sourced from PubChem (CID 134443036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).