cis-(6R,12S)-6-hydroxy-12-methyl-oxacyclododecane-2,5-dione

C12H20O4 — CID 102181686

IUPACcis-(6R,12S)-6-hydroxy-12-methyl-oxacyclododecane-2,5-dione
SMILESC[C@H]1CCCCC[C@@H](O)C(=O)CCC(=O)O1
InChIInChI=1S/C12H20O4/c1-9-5-3-2-4-6-10(13)11(14)7-8-12(15)16-9/h9-10,13H,2-8H2,1H3/t9-,10+/m0/s1
InChIKeyCIJJDBDXMBZOAO-VHSXEESVSA-N
MW228.29 g/mol
LogP1.59
Rot. Bonds

About cis-(6R,12S)-6-hydroxy-12-methyl-oxacyclododecane-2,5-dione

cis-(6R,12S)-6-hydroxy-12-methyl-oxacyclododecane-2,5-dione (PubChem CID 102181686) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is cis-(6R,12S)-6-hydroxy-12-methyl-oxacyclododecane-2,5-dione.

Molecular Properties

Compound Namecis-(6R,12S)-6-hydroxy-12-methyl-oxacyclododecane-2,5-dione
PubChem CID102181686
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Namecis-(6R,12S)-6-hydroxy-12-methyl-oxacyclododecane-2,5-dione
SMILESC[C@H]1CCCCC[C@@H](O)C(=O)CCC(=O)O1
InChIInChI=1S/C12H20O4/c1-9-5-3-2-4-6-10(13)11(14)7-8-12(15)16-9/h9-10,13H,2-8H2,1H3/t9-,10+/m0/s1
InChIKeyCIJJDBDXMBZOAO-VHSXEESVSA-N
XLogP1.59
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(6R,12S)-6-hydroxy-12-methyl-oxacyclododecane-2,5-dione?
The IUPAC name of cis-(6R,12S)-6-hydroxy-12-methyl-oxacyclododecane-2,5-dione (CID 102181686) is cis-(6R,12S)-6-hydroxy-12-methyl-oxacyclododecane-2,5-dione.
What is the SMILES notation for cis-(6R,12S)-6-hydroxy-12-methyl-oxacyclododecane-2,5-dione?
The canonical SMILES for cis-(6R,12S)-6-hydroxy-12-methyl-oxacyclododecane-2,5-dione is C[C@H]1CCCCC[C@@H](O)C(=O)CCC(=O)O1.
What is the InChIKey of cis-(6R,12S)-6-hydroxy-12-methyl-oxacyclododecane-2,5-dione?
The InChIKey is CIJJDBDXMBZOAO-VHSXEESVSA-N. The full InChI is InChI=1S/C12H20O4/c1-9-5-3-2-4-6-10(13)11(14)7-8-12(15)16-9/h9-10,13H,2-8H2,1H3/t9-,10+/m0/s1.
What are the key properties of cis-(6R,12S)-6-hydroxy-12-methyl-oxacyclododecane-2,5-dione?
cis-(6R,12S)-6-hydroxy-12-methyl-oxacyclododecane-2,5-dione has a molecular weight of 228.29 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(6R,12S)-6-hydroxy-12-methyl-oxacyclododecane-2,5-dione is sourced from PubChem (CID 102181686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).