methyl 2,2-dimethoxy-4-(methylperoxymethyl)cyclopentane-1-carboxylate

C11H20O6 — CID 18738798

IUPACmethyl 2,2-dimethoxy-4-(methylperoxymethyl)cyclopentane-1-carboxylate
SMILESCOOCC1CC(C(=O)OC)C(OC)(OC)C1
InChIInChI=1S/C11H20O6/c1-13-10(12)9-5-8(7-17-16-4)6-11(9,14-2)15-3/h8-9H,5-7H2,1-4H3
InChIKeyXGMMJGMYVMSYJP-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.75
Rot. Bonds6

About methyl 2,2-dimethoxy-4-(methylperoxymethyl)cyclopentane-1-carboxylate

methyl 2,2-dimethoxy-4-(methylperoxymethyl)cyclopentane-1-carboxylate (PubChem CID 18738798) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is methyl 2,2-dimethoxy-4-(methylperoxymethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,2-dimethoxy-4-(methylperoxymethyl)cyclopentane-1-carboxylate
PubChem CID18738798
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Namemethyl 2,2-dimethoxy-4-(methylperoxymethyl)cyclopentane-1-carboxylate
SMILESCOOCC1CC(C(=O)OC)C(OC)(OC)C1
InChIInChI=1S/C11H20O6/c1-13-10(12)9-5-8(7-17-16-4)6-11(9,14-2)15-3/h8-9H,5-7H2,1-4H3
InChIKeyXGMMJGMYVMSYJP-UHFFFAOYSA-N
XLogP0.75
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

trans-methoxymethyl (3R,4R)-3-(dimethoxymethyl)-4-(methoxymethoxy)cyclopentane-1-carboxylate
CID 13321597
Methoxymethyl 3-(dimethoxymethyl)-4-(methoxymethoxy)cyclopentane-1-carboxylate
CID 13321596
Dimethyl 4,4-dimethoxycyclopentane-1,3-dicarboxylate
CID 22467065
Methyl 3,3-dimethoxy-4-methylcyclopentane-1-carboxylate
CID 23533670
Methyl 2,4-dimethoxycyclopentane-1-carboxylate
CID 23553379
[2-Formyl-4-(methoxymethyl)cyclopentyl] acetate
CID 164007192
trans-methyl (1S,4R)-3,3-dimethoxy-1,4-dimethylcyclopentane-1-carboxylate
CID 99995879
cis-methyl (1R,4R)-3,3-dimethoxy-1,4-dimethylcyclopentane-1-carboxylate
CID 99995881
cis-methyl (1S,4S)-3,3-dimethoxy-1,4-dimethylcyclopentane-1-carboxylate
CID 99995884
trans-methyl (1R,4S)-3,3-dimethoxy-1,4-dimethylcyclopentane-1-carboxylate
CID 99995886
3,3-Dimethoxy-1,4-dimethyl-cyclopentanecarboxylic acid methyl ester
CID 102568725

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethoxy-4-(methylperoxymethyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2,2-dimethoxy-4-(methylperoxymethyl)cyclopentane-1-carboxylate (CID 18738798) is methyl 2,2-dimethoxy-4-(methylperoxymethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2,2-dimethoxy-4-(methylperoxymethyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2,2-dimethoxy-4-(methylperoxymethyl)cyclopentane-1-carboxylate is COOCC1CC(C(=O)OC)C(OC)(OC)C1.
What is the InChIKey of methyl 2,2-dimethoxy-4-(methylperoxymethyl)cyclopentane-1-carboxylate?
The InChIKey is XGMMJGMYVMSYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O6/c1-13-10(12)9-5-8(7-17-16-4)6-11(9,14-2)15-3/h8-9H,5-7H2,1-4H3.
What are the key properties of methyl 2,2-dimethoxy-4-(methylperoxymethyl)cyclopentane-1-carboxylate?
methyl 2,2-dimethoxy-4-(methylperoxymethyl)cyclopentane-1-carboxylate has a molecular weight of 248.27 g/mol, XLogP of 0.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethoxy-4-(methylperoxymethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 18738798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).