5-hydroxyoctan-2-one

C8H16O2 — CID 54022064

IUPAC5-hydroxyoctan-2-one
SMILESCCCC(O)CCC(C)=O
InChIInChI=1S/C8H16O2/c1-3-4-8(10)6-5-7(2)9/h8,10H,3-6H2,1-2H3
InChIKeyKZPPEBIAPHLFQD-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.52
Rot. Bonds5

About 5-hydroxyoctan-2-one

5-hydroxyoctan-2-one (PubChem CID 54022064) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 5-hydroxyoctan-2-one.

Molecular Properties

Compound Name5-hydroxyoctan-2-one
PubChem CID54022064
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name5-hydroxyoctan-2-one
SMILESCCCC(O)CCC(C)=O
InChIInChI=1S/C8H16O2/c1-3-4-8(10)6-5-7(2)9/h8,10H,3-6H2,1-2H3
InChIKeyKZPPEBIAPHLFQD-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

6-hydroxy-5-methylnonan-2-one
CID 58027509
10-hydroxynonadecan-2-one
CID 15922920
(13R)-13-hydroxynonadecan-2-one
CID 58468474
(7S)-7-hydroxydotriacontan-2-one
CID 162871149
(4S,12S)-4,12-dihydroxypentadecanoic acid
CID 163083389
13-hydroxyheptadecan-2-one
CID 164804784
heptadecan-2-one;hexadecan-2-one;10-hydroxyheptadecan-2-one;11-hydroxyheptadecan-2-one;pentadecan-2-one
CID 163962399
10,13-dihydroxynonadecan-2-one
CID 164804782
4-hydroxyheptadecan-7-one
CID 10934542
(5S)-5-hydroxyhexan-2-one
CID 11491928
(4R,8R)-undecane-4,8-diol
CID 101372142
7-methyldecane-2,6-dione
CID 14545114

Frequently Asked Questions

What is the IUPAC name of 5-hydroxyoctan-2-one?
The IUPAC name of 5-hydroxyoctan-2-one (CID 54022064) is 5-hydroxyoctan-2-one.
What is the SMILES notation for 5-hydroxyoctan-2-one?
The canonical SMILES for 5-hydroxyoctan-2-one is CCCC(O)CCC(C)=O.
What is the InChIKey of 5-hydroxyoctan-2-one?
The InChIKey is KZPPEBIAPHLFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-4-8(10)6-5-7(2)9/h8,10H,3-6H2,1-2H3.
What are the key properties of 5-hydroxyoctan-2-one?
5-hydroxyoctan-2-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 5-hydroxyoctan-2-one is sourced from PubChem (CID 54022064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).