6-hydroxy-2,9-dimethyldecan-5-one

C12H24O2 — CID 44721103

IUPAC6-hydroxy-2,9-dimethyldecan-5-one
SMILESCC(C)CCC(=O)C(O)CCC(C)C
InChIInChI=1S/C12H24O2/c1-9(2)5-7-11(13)12(14)8-6-10(3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyBYDYJFXRRJSNMQ-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.79
Rot. Bonds7

About 6-hydroxy-2,9-dimethyldecan-5-one

6-hydroxy-2,9-dimethyldecan-5-one (PubChem CID 44721103) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 6-hydroxy-2,9-dimethyldecan-5-one.

Molecular Properties

Compound Name6-hydroxy-2,9-dimethyldecan-5-one
PubChem CID44721103
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name6-hydroxy-2,9-dimethyldecan-5-one
SMILESCC(C)CCC(=O)C(O)CCC(C)C
InChIInChI=1S/C12H24O2/c1-9(2)5-7-11(13)12(14)8-6-10(3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyBYDYJFXRRJSNMQ-UHFFFAOYSA-N
XLogP2.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,9-dimethyldecan-5-one?
The IUPAC name of 6-hydroxy-2,9-dimethyldecan-5-one (CID 44721103) is 6-hydroxy-2,9-dimethyldecan-5-one.
What is the SMILES notation for 6-hydroxy-2,9-dimethyldecan-5-one?
The canonical SMILES for 6-hydroxy-2,9-dimethyldecan-5-one is CC(C)CCC(=O)C(O)CCC(C)C.
What is the InChIKey of 6-hydroxy-2,9-dimethyldecan-5-one?
The InChIKey is BYDYJFXRRJSNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-9(2)5-7-11(13)12(14)8-6-10(3)4/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 6-hydroxy-2,9-dimethyldecan-5-one?
6-hydroxy-2,9-dimethyldecan-5-one has a molecular weight of 200.32 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,9-dimethyldecan-5-one is sourced from PubChem (CID 44721103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).