5-hydroxypentan-2-one

C10H20O4 — CID 162230963

IUPAC5-hydroxypentan-2-one
SMILESCC(=O)CCCO.CC(=O)CCCO
InChIInChI=1S/2C5H10O2/c2*1-5(7)3-2-4-6/h2*6H,2-4H2,1H3
InChIKeyZVKOROMISOSLNU-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.70
Rot. Bonds6

About 5-hydroxypentan-2-one

5-hydroxypentan-2-one (PubChem CID 162230963) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-hydroxypentan-2-one.

Molecular Properties

Compound Name5-hydroxypentan-2-one
PubChem CID162230963
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name5-hydroxypentan-2-one
SMILESCC(=O)CCCO.CC(=O)CCCO
InChIInChI=1S/2C5H10O2/c2*1-5(7)3-2-4-6/h2*6H,2-4H2,1H3
InChIKeyZVKOROMISOSLNU-UHFFFAOYSA-N
XLogP0.70
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

21-hydroxyhenicosan-2-one
CID 153324955
19-hydroxynonadecan-2-one
CID 123829227
ethoxyethane;5-hydroxypentan-2-one
CID 22325863
ethene;9-hydroxynonan-2-one
CID 23344517
butan-1-ol;hexan-2-one
CID 20532115
butan-1-ol;heptan-2-one
CID 87902708
pentadecane-2,14-dione
CID 10966641
docosane-2,21-dione
CID 537416
butane-1,4-diol;bis(4-oxopentanoic acid)
CID 87560661
4-hydroxybutan-2-one;yttrium
CID 176852121
4-hydroxybutan-2-one;titanium
CID 174617522
1-hydroxyoctane-2,7-dione
CID 19604643

Frequently Asked Questions

What is the IUPAC name of 5-hydroxypentan-2-one?
The IUPAC name of 5-hydroxypentan-2-one (CID 162230963) is 5-hydroxypentan-2-one.
What is the SMILES notation for 5-hydroxypentan-2-one?
The canonical SMILES for 5-hydroxypentan-2-one is CC(=O)CCCO.CC(=O)CCCO.
What is the InChIKey of 5-hydroxypentan-2-one?
The InChIKey is ZVKOROMISOSLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10O2/c2*1-5(7)3-2-4-6/h2*6H,2-4H2,1H3.
What are the key properties of 5-hydroxypentan-2-one?
5-hydroxypentan-2-one has a molecular weight of 204.27 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypentan-2-one is sourced from PubChem (CID 162230963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).