(3Z,5E)-9-hydroxy-3,8-dimethylcyclodeca-3,5-diene-1,2-dione

C12H16O3 — CID 146683521

IUPAC(3Z,5E)-9-hydroxy-3,8-dimethylcyclodeca-3,5-diene-1,2-dione
SMILESC/C1=C/C=C/CC(C)C(O)CC(=O)C1=O
InChIInChI=1S/C12H16O3/c1-8-5-3-4-6-9(2)12(15)11(14)7-10(8)13/h3-4,6,8,10,13H,5,7H2,1-2H3/b4-3+,9-6-
InChIKeyQQDLUMCAAJSIIJ-KXIWCOCFSA-N
MW208.26 g/mol
LogP1.42
Rot. Bonds

About (3Z,5E)-9-hydroxy-3,8-dimethylcyclodeca-3,5-diene-1,2-dione

(3Z,5E)-9-hydroxy-3,8-dimethylcyclodeca-3,5-diene-1,2-dione (PubChem CID 146683521) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (3Z,5E)-9-hydroxy-3,8-dimethylcyclodeca-3,5-diene-1,2-dione.

Molecular Properties

Compound Name(3Z,5E)-9-hydroxy-3,8-dimethylcyclodeca-3,5-diene-1,2-dione
PubChem CID146683521
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(3Z,5E)-9-hydroxy-3,8-dimethylcyclodeca-3,5-diene-1,2-dione
SMILESC/C1=C/C=C/CC(C)C(O)CC(=O)C1=O
InChIInChI=1S/C12H16O3/c1-8-5-3-4-6-9(2)12(15)11(14)7-10(8)13/h3-4,6,8,10,13H,5,7H2,1-2H3/b4-3+,9-6-
InChIKeyQQDLUMCAAJSIIJ-KXIWCOCFSA-N
XLogP1.42
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-9-hydroxy-3,8-dimethylcyclodeca-3,5-diene-1,2-dione?
The IUPAC name of (3Z,5E)-9-hydroxy-3,8-dimethylcyclodeca-3,5-diene-1,2-dione (CID 146683521) is (3Z,5E)-9-hydroxy-3,8-dimethylcyclodeca-3,5-diene-1,2-dione.
What is the SMILES notation for (3Z,5E)-9-hydroxy-3,8-dimethylcyclodeca-3,5-diene-1,2-dione?
The canonical SMILES for (3Z,5E)-9-hydroxy-3,8-dimethylcyclodeca-3,5-diene-1,2-dione is C/C1=C/C=C/CC(C)C(O)CC(=O)C1=O.
What is the InChIKey of (3Z,5E)-9-hydroxy-3,8-dimethylcyclodeca-3,5-diene-1,2-dione?
The InChIKey is QQDLUMCAAJSIIJ-KXIWCOCFSA-N. The full InChI is InChI=1S/C12H16O3/c1-8-5-3-4-6-9(2)12(15)11(14)7-10(8)13/h3-4,6,8,10,13H,5,7H2,1-2H3/b4-3+,9-6-.
What are the key properties of (3Z,5E)-9-hydroxy-3,8-dimethylcyclodeca-3,5-diene-1,2-dione?
(3Z,5E)-9-hydroxy-3,8-dimethylcyclodeca-3,5-diene-1,2-dione has a molecular weight of 208.26 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-9-hydroxy-3,8-dimethylcyclodeca-3,5-diene-1,2-dione is sourced from PubChem (CID 146683521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).