4,6-dihydroxy-12-methyl-oxacyclododecane-2,5-dione

C12H20O5 — CID 10538249

IUPAC4,6-dihydroxy-12-methyl-oxacyclododecane-2,5-dione
SMILESCC1CCCCCC(O)C(=O)C(O)CC(=O)O1
InChIInChI=1S/C12H20O5/c1-8-5-3-2-4-6-9(13)12(16)10(14)7-11(15)17-8/h8-10,13-14H,2-7H2,1H3
InChIKeyLSLSZASQWJAEHT-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.56
Rot. Bonds

About 4,6-dihydroxy-12-methyl-oxacyclododecane-2,5-dione

4,6-dihydroxy-12-methyl-oxacyclododecane-2,5-dione (PubChem CID 10538249) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4,6-dihydroxy-12-methyl-oxacyclododecane-2,5-dione.

Molecular Properties

Compound Name4,6-dihydroxy-12-methyl-oxacyclododecane-2,5-dione
PubChem CID10538249
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name4,6-dihydroxy-12-methyl-oxacyclododecane-2,5-dione
SMILESCC1CCCCCC(O)C(=O)C(O)CC(=O)O1
InChIInChI=1S/C12H20O5/c1-8-5-3-2-4-6-9(13)12(16)10(14)7-11(15)17-8/h8-10,13-14H,2-7H2,1H3
InChIKeyLSLSZASQWJAEHT-UHFFFAOYSA-N
XLogP0.56
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dihydroxy-12-methyl-oxacyclododecane-2,5-dione?
The IUPAC name of 4,6-dihydroxy-12-methyl-oxacyclododecane-2,5-dione (CID 10538249) is 4,6-dihydroxy-12-methyl-oxacyclododecane-2,5-dione.
What is the SMILES notation for 4,6-dihydroxy-12-methyl-oxacyclododecane-2,5-dione?
The canonical SMILES for 4,6-dihydroxy-12-methyl-oxacyclododecane-2,5-dione is CC1CCCCCC(O)C(=O)C(O)CC(=O)O1.
What is the InChIKey of 4,6-dihydroxy-12-methyl-oxacyclododecane-2,5-dione?
The InChIKey is LSLSZASQWJAEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5/c1-8-5-3-2-4-6-9(13)12(16)10(14)7-11(15)17-8/h8-10,13-14H,2-7H2,1H3.
What are the key properties of 4,6-dihydroxy-12-methyl-oxacyclododecane-2,5-dione?
4,6-dihydroxy-12-methyl-oxacyclododecane-2,5-dione has a molecular weight of 244.29 g/mol, XLogP of 0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dihydroxy-12-methyl-oxacyclododecane-2,5-dione is sourced from PubChem (CID 10538249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).