(4S,6S,12S)-4,6-dihydroxy-12-methyl-oxacyclododecane-2,5-dione

C12H20O5 — CID 11687387

IUPAC(4S,6S,12S)-4,6-dihydroxy-12-methyl-oxacyclododecane-2,5-dione
SMILESC[C@H]1CCCCC[C@H](O)C(=O)[C@@H](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/t8-,9-,10-/m0/s1
InChIKeyLSLSZASQWJAEHT-GUBZILKMSA-N
MW244.29 g/mol
LogP0.56
Rot. Bonds

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

(4S,6S,12S)-4,6-dihydroxy-12-methyl-oxacyclododecane-2,5-dione (PubChem CID 11687387) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is (4S,6S,12S)-4,6-dihydroxy-12-methyl-oxacyclododecane-2,5-dione.

Molecular Properties

Compound Name(4S,6S,12S)-4,6-dihydroxy-12-methyl-oxacyclododecane-2,5-dione
PubChem CID11687387
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name(4S,6S,12S)-4,6-dihydroxy-12-methyl-oxacyclododecane-2,5-dione
SMILESC[C@H]1CCCCC[C@H](O)C(=O)[C@@H](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/t8-,9-,10-/m0/s1
InChIKeyLSLSZASQWJAEHT-GUBZILKMSA-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

Analyze (4S,6S,12S)-4,6-dihydroxy-12-methyl-oxacyclododecane-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,6S,12S)-4,6-dihydroxy-12-methyl-oxacyclododecane-2,5-dione?
The IUPAC name of (4S,6S,12S)-4,6-dihydroxy-12-methyl-oxacyclododecane-2,5-dione (CID 11687387) is (4S,6S,12S)-4,6-dihydroxy-12-methyl-oxacyclododecane-2,5-dione.
What is the SMILES notation for (4S,6S,12S)-4,6-dihydroxy-12-methyl-oxacyclododecane-2,5-dione?
The canonical SMILES for (4S,6S,12S)-4,6-dihydroxy-12-methyl-oxacyclododecane-2,5-dione is C[C@H]1CCCCC[C@H](O)C(=O)[C@@H](O)CC(=O)O1.
What is the InChIKey of (4S,6S,12S)-4,6-dihydroxy-12-methyl-oxacyclododecane-2,5-dione?
The InChIKey is LSLSZASQWJAEHT-GUBZILKMSA-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/t8-,9-,10-/m0/s1.
What are the key properties of (4S,6S,12S)-4,6-dihydroxy-12-methyl-oxacyclododecane-2,5-dione?
(4S,6S,12S)-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 (4S,6S,12S)-4,6-dihydroxy-12-methyl-oxacyclododecane-2,5-dione is sourced from PubChem (CID 11687387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).