4,6-dihydroxy-3,5,7,9,11,12-hexamethyl-oxacyclododecane-2,10-dione

C17H30O5 — CID 23397910

IUPAC4,6-dihydroxy-3,5,7,9,11,12-hexamethyl-oxacyclododecane-2,10-dione
SMILESCC1CC(C)C(O)C(C)C(O)C(C)C(=O)OC(C)C(C)C1=O
InChIInChI=1S/C17H30O5/c1-8-7-9(2)15(19)11(4)16(20)12(5)17(21)22-13(6)10(3)14(8)18/h8-13,15-16,19-20H,7H2,1-6H3
InChIKeyBWMGFOWLIVGAPZ-UHFFFAOYSA-N
MW314.42 g/mol
LogP1.79
Rot. Bonds

About 4,6-dihydroxy-3,5,7,9,11,12-hexamethyl-oxacyclododecane-2,10-dione

4,6-dihydroxy-3,5,7,9,11,12-hexamethyl-oxacyclododecane-2,10-dione (PubChem CID 23397910) has the molecular formula C17H30O5 and a molecular weight of 314.42 g/mol. Its IUPAC name is 4,6-dihydroxy-3,5,7,9,11,12-hexamethyl-oxacyclododecane-2,10-dione.

Molecular Properties

Compound Name4,6-dihydroxy-3,5,7,9,11,12-hexamethyl-oxacyclododecane-2,10-dione
PubChem CID23397910
Molecular FormulaC17H30O5
Molecular Weight314.42 g/mol
Exact Mass314.21
IUPAC Name4,6-dihydroxy-3,5,7,9,11,12-hexamethyl-oxacyclododecane-2,10-dione
SMILESCC1CC(C)C(O)C(C)C(O)C(C)C(=O)OC(C)C(C)C1=O
InChIInChI=1S/C17H30O5/c1-8-7-9(2)15(19)11(4)16(20)12(5)17(21)22-13(6)10(3)14(8)18/h8-13,15-16,19-20H,7H2,1-6H3
InChIKeyBWMGFOWLIVGAPZ-UHFFFAOYSA-N
XLogP1.79
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dihydroxy-3,5,7,9,11,12-hexamethyl-oxacyclododecane-2,10-dione?
The IUPAC name of 4,6-dihydroxy-3,5,7,9,11,12-hexamethyl-oxacyclododecane-2,10-dione (CID 23397910) is 4,6-dihydroxy-3,5,7,9,11,12-hexamethyl-oxacyclododecane-2,10-dione.
What is the SMILES notation for 4,6-dihydroxy-3,5,7,9,11,12-hexamethyl-oxacyclododecane-2,10-dione?
The canonical SMILES for 4,6-dihydroxy-3,5,7,9,11,12-hexamethyl-oxacyclododecane-2,10-dione is CC1CC(C)C(O)C(C)C(O)C(C)C(=O)OC(C)C(C)C1=O.
What is the InChIKey of 4,6-dihydroxy-3,5,7,9,11,12-hexamethyl-oxacyclododecane-2,10-dione?
The InChIKey is BWMGFOWLIVGAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O5/c1-8-7-9(2)15(19)11(4)16(20)12(5)17(21)22-13(6)10(3)14(8)18/h8-13,15-16,19-20H,7H2,1-6H3.
What are the key properties of 4,6-dihydroxy-3,5,7,9,11,12-hexamethyl-oxacyclododecane-2,10-dione?
4,6-dihydroxy-3,5,7,9,11,12-hexamethyl-oxacyclododecane-2,10-dione has a molecular weight of 314.42 g/mol, XLogP of 1.79, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dihydroxy-3,5,7,9,11,12-hexamethyl-oxacyclododecane-2,10-dione is sourced from PubChem (CID 23397910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).