methyl (2R)-6-methyl-2-(methylperoxymethyl)tricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate

C15H22O4 — CID 134979320

IUPACmethyl (2R)-6-methyl-2-(methylperoxymethyl)tricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
SMILESCOOC[C@@H]1CCC2C(C)(C(=O)OC)C3C=CC21C3
InChIInChI=1S/C15H22O4/c1-14(13(16)17-2)10-6-7-15(8-10)11(9-19-18-3)4-5-12(14)15/h6-7,10-12H,4-5,8-9H2,1-3H3/t10?,11-,12?,14?,15?/m0/s1
InChIKeyUFELGBHJBUYRDC-AFKVOTJJSA-N
MW266.34 g/mol
LogP2.35
Rot. Bonds4

About methyl (2R)-6-methyl-2-(methylperoxymethyl)tricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate

methyl (2R)-6-methyl-2-(methylperoxymethyl)tricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate (PubChem CID 134979320) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl (2R)-6-methyl-2-(methylperoxymethyl)tricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-6-methyl-2-(methylperoxymethyl)tricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
PubChem CID134979320
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Namemethyl (2R)-6-methyl-2-(methylperoxymethyl)tricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
SMILESCOOC[C@@H]1CCC2C(C)(C(=O)OC)C3C=CC21C3
InChIInChI=1S/C15H22O4/c1-14(13(16)17-2)10-6-7-15(8-10)11(9-19-18-3)4-5-12(14)15/h6-7,10-12H,4-5,8-9H2,1-3H3/t10?,11-,12?,14?,15?/m0/s1
InChIKeyUFELGBHJBUYRDC-AFKVOTJJSA-N
XLogP2.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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 (2R)-6-methyl-2-(methylperoxymethyl)tricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate?
The IUPAC name of methyl (2R)-6-methyl-2-(methylperoxymethyl)tricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate (CID 134979320) is methyl (2R)-6-methyl-2-(methylperoxymethyl)tricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate.
What is the SMILES notation for methyl (2R)-6-methyl-2-(methylperoxymethyl)tricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate?
The canonical SMILES for methyl (2R)-6-methyl-2-(methylperoxymethyl)tricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate is COOC[C@@H]1CCC2C(C)(C(=O)OC)C3C=CC21C3.
What is the InChIKey of methyl (2R)-6-methyl-2-(methylperoxymethyl)tricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate?
The InChIKey is UFELGBHJBUYRDC-AFKVOTJJSA-N. The full InChI is InChI=1S/C15H22O4/c1-14(13(16)17-2)10-6-7-15(8-10)11(9-19-18-3)4-5-12(14)15/h6-7,10-12H,4-5,8-9H2,1-3H3/t10?,11-,12?,14?,15?/m0/s1.
What are the key properties of methyl (2R)-6-methyl-2-(methylperoxymethyl)tricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate?
methyl (2R)-6-methyl-2-(methylperoxymethyl)tricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-6-methyl-2-(methylperoxymethyl)tricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate is sourced from PubChem (CID 134979320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).