(5R,10S)-5-methoxy-10-methyloxecane-2,7-dione

C11H18O4 — CID 146684068

IUPAC(5R,10S)-5-methoxy-10-methyloxecane-2,7-dione
SMILESCO[C@@H]1CCC(=O)O[C@@H](C)CCC(=O)C1
InChIInChI=1S/C11H18O4/c1-8-3-4-9(12)7-10(14-2)5-6-11(13)15-8/h8,10H,3-7H2,1-2H3/t8-,10+/m0/s1
InChIKeyLZMPXUPAQWKNKZ-WCBMZHEXSA-N
MW214.26 g/mol
LogP1.47
Rot. Bonds1

About (5R,10S)-5-methoxy-10-methyloxecane-2,7-dione

(5R,10S)-5-methoxy-10-methyloxecane-2,7-dione (PubChem CID 146684068) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (5R,10S)-5-methoxy-10-methyloxecane-2,7-dione.

Molecular Properties

Compound Name(5R,10S)-5-methoxy-10-methyloxecane-2,7-dione
PubChem CID146684068
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(5R,10S)-5-methoxy-10-methyloxecane-2,7-dione
SMILESCO[C@@H]1CCC(=O)O[C@@H](C)CCC(=O)C1
InChIInChI=1S/C11H18O4/c1-8-3-4-9(12)7-10(14-2)5-6-11(13)15-8/h8,10H,3-7H2,1-2H3/t8-,10+/m0/s1
InChIKeyLZMPXUPAQWKNKZ-WCBMZHEXSA-N
XLogP1.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R,10S)-5-methoxy-10-methyloxecane-2,7-dione?
The IUPAC name of (5R,10S)-5-methoxy-10-methyloxecane-2,7-dione (CID 146684068) is (5R,10S)-5-methoxy-10-methyloxecane-2,7-dione.
What is the SMILES notation for (5R,10S)-5-methoxy-10-methyloxecane-2,7-dione?
The canonical SMILES for (5R,10S)-5-methoxy-10-methyloxecane-2,7-dione is CO[C@@H]1CCC(=O)O[C@@H](C)CCC(=O)C1.
What is the InChIKey of (5R,10S)-5-methoxy-10-methyloxecane-2,7-dione?
The InChIKey is LZMPXUPAQWKNKZ-WCBMZHEXSA-N. The full InChI is InChI=1S/C11H18O4/c1-8-3-4-9(12)7-10(14-2)5-6-11(13)15-8/h8,10H,3-7H2,1-2H3/t8-,10+/m0/s1.
What are the key properties of (5R,10S)-5-methoxy-10-methyloxecane-2,7-dione?
(5R,10S)-5-methoxy-10-methyloxecane-2,7-dione has a molecular weight of 214.26 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,10S)-5-methoxy-10-methyloxecane-2,7-dione is sourced from PubChem (CID 146684068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).