methyl (1R,5S,8S)-8-(2-methoxy-2-oxoethyl)-5-methyl-6-oxobicyclo[3.2.1]octane-1-carboxylate

C14H20O5 — CID 10707002

IUPACmethyl (1R,5S,8S)-8-(2-methoxy-2-oxoethyl)-5-methyl-6-oxobicyclo[3.2.1]octane-1-carboxylate
SMILESCOC(=O)C[C@@H]1[C@@]2(C(=O)OC)CCC[C@]1(C)C(=O)C2
InChIInChI=1S/C14H20O5/c1-13-5-4-6-14(8-10(13)15,12(17)19-3)9(13)7-11(16)18-2/h9H,4-8H2,1-3H3/t9-,13-,14+/m0/s1
InChIKeyHLLHHJVZUWWDAD-QCZZGDTMSA-N
MW268.31 g/mol
LogP1.49
Rot. Bonds3

About methyl (1R,5S,8S)-8-(2-methoxy-2-oxoethyl)-5-methyl-6-oxobicyclo[3.2.1]octane-1-carboxylate

methyl (1R,5S,8S)-8-(2-methoxy-2-oxoethyl)-5-methyl-6-oxobicyclo[3.2.1]octane-1-carboxylate (PubChem CID 10707002) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl (1R,5S,8S)-8-(2-methoxy-2-oxoethyl)-5-methyl-6-oxobicyclo[3.2.1]octane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,5S,8S)-8-(2-methoxy-2-oxoethyl)-5-methyl-6-oxobicyclo[3.2.1]octane-1-carboxylate
PubChem CID10707002
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Namemethyl (1R,5S,8S)-8-(2-methoxy-2-oxoethyl)-5-methyl-6-oxobicyclo[3.2.1]octane-1-carboxylate
SMILESCOC(=O)C[C@@H]1[C@@]2(C(=O)OC)CCC[C@]1(C)C(=O)C2
InChIInChI=1S/C14H20O5/c1-13-5-4-6-14(8-10(13)15,12(17)19-3)9(13)7-11(16)18-2/h9H,4-8H2,1-3H3/t9-,13-,14+/m0/s1
InChIKeyHLLHHJVZUWWDAD-QCZZGDTMSA-N
XLogP1.49
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (1R,5S,8S)-8-(2-methoxy-2-oxoethyl)-5-methyl-6-oxobicyclo[3.2.1]octane-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (1R,5S,8S)-8-(2-methoxy-2-oxoethyl)-5-methyl-6-oxobicyclo[3.2.1]octane-1-carboxylate?
The IUPAC name of methyl (1R,5S,8S)-8-(2-methoxy-2-oxoethyl)-5-methyl-6-oxobicyclo[3.2.1]octane-1-carboxylate (CID 10707002) is methyl (1R,5S,8S)-8-(2-methoxy-2-oxoethyl)-5-methyl-6-oxobicyclo[3.2.1]octane-1-carboxylate.
What is the SMILES notation for methyl (1R,5S,8S)-8-(2-methoxy-2-oxoethyl)-5-methyl-6-oxobicyclo[3.2.1]octane-1-carboxylate?
The canonical SMILES for methyl (1R,5S,8S)-8-(2-methoxy-2-oxoethyl)-5-methyl-6-oxobicyclo[3.2.1]octane-1-carboxylate is COC(=O)C[C@@H]1[C@@]2(C(=O)OC)CCC[C@]1(C)C(=O)C2.
What is the InChIKey of methyl (1R,5S,8S)-8-(2-methoxy-2-oxoethyl)-5-methyl-6-oxobicyclo[3.2.1]octane-1-carboxylate?
The InChIKey is HLLHHJVZUWWDAD-QCZZGDTMSA-N. The full InChI is InChI=1S/C14H20O5/c1-13-5-4-6-14(8-10(13)15,12(17)19-3)9(13)7-11(16)18-2/h9H,4-8H2,1-3H3/t9-,13-,14+/m0/s1.
What are the key properties of methyl (1R,5S,8S)-8-(2-methoxy-2-oxoethyl)-5-methyl-6-oxobicyclo[3.2.1]octane-1-carboxylate?
methyl (1R,5S,8S)-8-(2-methoxy-2-oxoethyl)-5-methyl-6-oxobicyclo[3.2.1]octane-1-carboxylate has a molecular weight of 268.31 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,5S,8S)-8-(2-methoxy-2-oxoethyl)-5-methyl-6-oxobicyclo[3.2.1]octane-1-carboxylate is sourced from PubChem (CID 10707002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).