methyl 2-[(1R,2R,3R,5S)-3,5-diacetyl-2-(2-methoxy-2-oxoethyl)cyclopentyl]acetate

C15H22O6 — CID 70595025

IUPACmethyl 2-[(1R,2R,3R,5S)-3,5-diacetyl-2-(2-methoxy-2-oxoethyl)cyclopentyl]acetate
SMILESCOC(=O)C[C@@H]1[C@@H](CC(=O)OC)[C@H](C(C)=O)C[C@@H]1C(C)=O
InChIInChI=1S/C15H22O6/c1-8(16)10-5-11(9(2)17)13(7-15(19)21-4)12(10)6-14(18)20-3/h10-13H,5-7H2,1-4H3/t10-,11+,12-,13-/m0/s1
InChIKeyOMRGXSXIAAJMET-RNJOBUHISA-N
MW298.33 g/mol
LogP1.16
Rot. Bonds6

About methyl 2-[(1R,2R,3R,5S)-3,5-diacetyl-2-(2-methoxy-2-oxoethyl)cyclopentyl]acetate

methyl 2-[(1R,2R,3R,5S)-3,5-diacetyl-2-(2-methoxy-2-oxoethyl)cyclopentyl]acetate (PubChem CID 70595025) has the molecular formula C15H22O6 and a molecular weight of 298.33 g/mol. Its IUPAC name is methyl 2-[(1R,2R,3R,5S)-3,5-diacetyl-2-(2-methoxy-2-oxoethyl)cyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1R,2R,3R,5S)-3,5-diacetyl-2-(2-methoxy-2-oxoethyl)cyclopentyl]acetate
PubChem CID70595025
Molecular FormulaC15H22O6
Molecular Weight298.33 g/mol
Exact Mass298.14
IUPAC Namemethyl 2-[(1R,2R,3R,5S)-3,5-diacetyl-2-(2-methoxy-2-oxoethyl)cyclopentyl]acetate
SMILESCOC(=O)C[C@@H]1[C@@H](CC(=O)OC)[C@H](C(C)=O)C[C@@H]1C(C)=O
InChIInChI=1S/C15H22O6/c1-8(16)10-5-11(9(2)17)13(7-15(19)21-4)12(10)6-14(18)20-3/h10-13H,5-7H2,1-4H3/t10-,11+,12-,13-/m0/s1
InChIKeyOMRGXSXIAAJMET-RNJOBUHISA-N
XLogP1.16
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(1R,2R,3R,5S)-3,5-diacetyl-2-(2-methoxy-2-oxoethyl)cyclopentyl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R,2R,3R,5S)-3,5-diacetyl-2-(2-methoxy-2-oxoethyl)cyclopentyl]acetate?
The IUPAC name of methyl 2-[(1R,2R,3R,5S)-3,5-diacetyl-2-(2-methoxy-2-oxoethyl)cyclopentyl]acetate (CID 70595025) is methyl 2-[(1R,2R,3R,5S)-3,5-diacetyl-2-(2-methoxy-2-oxoethyl)cyclopentyl]acetate.
What is the SMILES notation for methyl 2-[(1R,2R,3R,5S)-3,5-diacetyl-2-(2-methoxy-2-oxoethyl)cyclopentyl]acetate?
The canonical SMILES for methyl 2-[(1R,2R,3R,5S)-3,5-diacetyl-2-(2-methoxy-2-oxoethyl)cyclopentyl]acetate is COC(=O)C[C@@H]1[C@@H](CC(=O)OC)[C@H](C(C)=O)C[C@@H]1C(C)=O.
What is the InChIKey of methyl 2-[(1R,2R,3R,5S)-3,5-diacetyl-2-(2-methoxy-2-oxoethyl)cyclopentyl]acetate?
The InChIKey is OMRGXSXIAAJMET-RNJOBUHISA-N. The full InChI is InChI=1S/C15H22O6/c1-8(16)10-5-11(9(2)17)13(7-15(19)21-4)12(10)6-14(18)20-3/h10-13H,5-7H2,1-4H3/t10-,11+,12-,13-/m0/s1.
What are the key properties of methyl 2-[(1R,2R,3R,5S)-3,5-diacetyl-2-(2-methoxy-2-oxoethyl)cyclopentyl]acetate?
methyl 2-[(1R,2R,3R,5S)-3,5-diacetyl-2-(2-methoxy-2-oxoethyl)cyclopentyl]acetate has a molecular weight of 298.33 g/mol, XLogP of 1.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R,2R,3R,5S)-3,5-diacetyl-2-(2-methoxy-2-oxoethyl)cyclopentyl]acetate is sourced from PubChem (CID 70595025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).