methyl 2-(1-hydroxy-2-methylpropan-2-yl)peroxy-1,2-dimethylcyclopropane-1-carboxylate

C11H20O5 — CID 141028175

IUPACmethyl 2-(1-hydroxy-2-methylpropan-2-yl)peroxy-1,2-dimethylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(C)CC1(C)OOC(C)(C)CO
InChIInChI=1S/C11H20O5/c1-9(2,7-12)15-16-11(4)6-10(11,3)8(13)14-5/h12H,6-7H2,1-5H3
InChIKeyUSVZEEPVBJVXMW-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.05
Rot. Bonds5

About methyl 2-(1-hydroxy-2-methylpropan-2-yl)peroxy-1,2-dimethylcyclopropane-1-carboxylate

methyl 2-(1-hydroxy-2-methylpropan-2-yl)peroxy-1,2-dimethylcyclopropane-1-carboxylate (PubChem CID 141028175) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl 2-(1-hydroxy-2-methylpropan-2-yl)peroxy-1,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-hydroxy-2-methylpropan-2-yl)peroxy-1,2-dimethylcyclopropane-1-carboxylate
PubChem CID141028175
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Namemethyl 2-(1-hydroxy-2-methylpropan-2-yl)peroxy-1,2-dimethylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(C)CC1(C)OOC(C)(C)CO
InChIInChI=1S/C11H20O5/c1-9(2,7-12)15-16-11(4)6-10(11,3)8(13)14-5/h12H,6-7H2,1-5H3
InChIKeyUSVZEEPVBJVXMW-UHFFFAOYSA-N
XLogP1.05
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-hydroxy-2-methylpropan-2-yl)peroxy-1,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of methyl 2-(1-hydroxy-2-methylpropan-2-yl)peroxy-1,2-dimethylcyclopropane-1-carboxylate (CID 141028175) is methyl 2-(1-hydroxy-2-methylpropan-2-yl)peroxy-1,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-(1-hydroxy-2-methylpropan-2-yl)peroxy-1,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-(1-hydroxy-2-methylpropan-2-yl)peroxy-1,2-dimethylcyclopropane-1-carboxylate is COC(=O)C1(C)CC1(C)OOC(C)(C)CO.
What is the InChIKey of methyl 2-(1-hydroxy-2-methylpropan-2-yl)peroxy-1,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is USVZEEPVBJVXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-9(2,7-12)15-16-11(4)6-10(11,3)8(13)14-5/h12H,6-7H2,1-5H3.
What are the key properties of methyl 2-(1-hydroxy-2-methylpropan-2-yl)peroxy-1,2-dimethylcyclopropane-1-carboxylate?
methyl 2-(1-hydroxy-2-methylpropan-2-yl)peroxy-1,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 232.28 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-hydroxy-2-methylpropan-2-yl)peroxy-1,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 141028175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).