6-hydroxy-2,10-dimethylundeca-1,10-diene-3,9-dione

C13H20O3 — CID 159462931

IUPAC6-hydroxy-2,10-dimethylundeca-1,10-diene-3,9-dione
SMILESC=C(C)C(=O)CCC(O)CCC(=O)C(=C)C
InChIInChI=1S/C13H20O3/c1-9(2)12(15)7-5-11(14)6-8-13(16)10(3)4/h11,14H,1,3,5-8H2,2,4H3
InChIKeySNINWVYXZUJTIR-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.20
Rot. Bonds8

About 6-hydroxy-2,10-dimethylundeca-1,10-diene-3,9-dione

6-hydroxy-2,10-dimethylundeca-1,10-diene-3,9-dione (PubChem CID 159462931) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 6-hydroxy-2,10-dimethylundeca-1,10-diene-3,9-dione.

Molecular Properties

Compound Name6-hydroxy-2,10-dimethylundeca-1,10-diene-3,9-dione
PubChem CID159462931
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name6-hydroxy-2,10-dimethylundeca-1,10-diene-3,9-dione
SMILESC=C(C)C(=O)CCC(O)CCC(=O)C(=C)C
InChIInChI=1S/C13H20O3/c1-9(2)12(15)7-5-11(14)6-8-13(16)10(3)4/h11,14H,1,3,5-8H2,2,4H3
InChIKeySNINWVYXZUJTIR-UHFFFAOYSA-N
XLogP2.20
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,10-dimethylundeca-1,10-diene-3,9-dione?
The IUPAC name of 6-hydroxy-2,10-dimethylundeca-1,10-diene-3,9-dione (CID 159462931) is 6-hydroxy-2,10-dimethylundeca-1,10-diene-3,9-dione.
What is the SMILES notation for 6-hydroxy-2,10-dimethylundeca-1,10-diene-3,9-dione?
The canonical SMILES for 6-hydroxy-2,10-dimethylundeca-1,10-diene-3,9-dione is C=C(C)C(=O)CCC(O)CCC(=O)C(=C)C.
What is the InChIKey of 6-hydroxy-2,10-dimethylundeca-1,10-diene-3,9-dione?
The InChIKey is SNINWVYXZUJTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-9(2)12(15)7-5-11(14)6-8-13(16)10(3)4/h11,14H,1,3,5-8H2,2,4H3.
What are the key properties of 6-hydroxy-2,10-dimethylundeca-1,10-diene-3,9-dione?
6-hydroxy-2,10-dimethylundeca-1,10-diene-3,9-dione has a molecular weight of 224.30 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,10-dimethylundeca-1,10-diene-3,9-dione is sourced from PubChem (CID 159462931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).