6-hydroxyoctan-3-one

C8H16O2 — CID 15920952

IUPAC6-hydroxyoctan-3-one
SMILESCCC(=O)CCC(O)CC
InChIInChI=1S/C8H16O2/c1-3-7(9)5-6-8(10)4-2/h7,9H,3-6H2,1-2H3
InChIKeyVJDZJBNTVLGPEM-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.52
Rot. Bonds5

About 6-hydroxyoctan-3-one

6-hydroxyoctan-3-one (PubChem CID 15920952) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 6-hydroxyoctan-3-one.

Molecular Properties

Compound Name6-hydroxyoctan-3-one
PubChem CID15920952
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name6-hydroxyoctan-3-one
SMILESCCC(=O)CCC(O)CC
InChIInChI=1S/C8H16O2/c1-3-7(9)5-6-8(10)4-2/h7,9H,3-6H2,1-2H3
InChIKeyVJDZJBNTVLGPEM-UHFFFAOYSA-N
XLogP1.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6S)-6-hydroxyheptan-3-one
CID 163026982
(4S)-4-hydroxyhexanoic acid
CID 14057564
3-hydroxyhenicosan-6-one
CID 161363871
6-hydroxytritriacontan-3-one
CID 163195749
CID 159048061
CID 159048061
6-hydroxy-2-methyloctan-3-one
CID 79429661
9-ethylundecane-3,6-dione
CID 174193885
7-cyclopentyl-6-hydroxyheptan-3-one
CID 103159212
6,6-dichlorohexan-3-one
CID 15669105
6-hydroxy-2,2-dimethyloctan-3-one
CID 79428610
ethane;8-hydroxydecane-2,5-dione;3-hydroxypentan-2-one
CID 167591324
hept-1-ene-2,5-diol
CID 140988002

Frequently Asked Questions

What is the IUPAC name of 6-hydroxyoctan-3-one?
The IUPAC name of 6-hydroxyoctan-3-one (CID 15920952) is 6-hydroxyoctan-3-one.
What is the SMILES notation for 6-hydroxyoctan-3-one?
The canonical SMILES for 6-hydroxyoctan-3-one is CCC(=O)CCC(O)CC.
What is the InChIKey of 6-hydroxyoctan-3-one?
The InChIKey is VJDZJBNTVLGPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-7(9)5-6-8(10)4-2/h7,9H,3-6H2,1-2H3.
What are the key properties of 6-hydroxyoctan-3-one?
6-hydroxyoctan-3-one has a molecular weight of 144.21 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxyoctan-3-one is sourced from PubChem (CID 15920952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).