8-hydroxy-2,6-dimethyloctan-3-one

C10H20O2 — CID 3019961

IUPAC8-hydroxy-2,6-dimethyloctan-3-one
SMILESCC(CCO)CCC(=O)C(C)C
InChIInChI=1S/C10H20O2/c1-8(2)10(12)5-4-9(3)6-7-11/h8-9,11H,4-7H2,1-3H3
InChIKeyDCMADGNDUAGIQQ-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.01
Rot. Bonds6

About 8-hydroxy-2,6-dimethyloctan-3-one

8-hydroxy-2,6-dimethyloctan-3-one (PubChem CID 3019961) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 8-hydroxy-2,6-dimethyloctan-3-one.

Molecular Properties

Compound Name8-hydroxy-2,6-dimethyloctan-3-one
PubChem CID3019961
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name8-hydroxy-2,6-dimethyloctan-3-one
SMILESCC(CCO)CCC(=O)C(C)C
InChIInChI=1S/C10H20O2/c1-8(2)10(12)5-4-9(3)6-7-11/h8-9,11H,4-7H2,1-3H3
InChIKeyDCMADGNDUAGIQQ-UHFFFAOYSA-N
XLogP2.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2,6-dimethyloctan-3-one?
The IUPAC name of 8-hydroxy-2,6-dimethyloctan-3-one (CID 3019961) is 8-hydroxy-2,6-dimethyloctan-3-one.
What is the SMILES notation for 8-hydroxy-2,6-dimethyloctan-3-one?
The canonical SMILES for 8-hydroxy-2,6-dimethyloctan-3-one is CC(CCO)CCC(=O)C(C)C.
What is the InChIKey of 8-hydroxy-2,6-dimethyloctan-3-one?
The InChIKey is DCMADGNDUAGIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-8(2)10(12)5-4-9(3)6-7-11/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 8-hydroxy-2,6-dimethyloctan-3-one?
8-hydroxy-2,6-dimethyloctan-3-one has a molecular weight of 172.27 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2,6-dimethyloctan-3-one is sourced from PubChem (CID 3019961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).