4-hydroxy-4-methylpentan-2-one

C12H24O4 — CID 87257073

IUPAC4-hydroxy-4-methylpentan-2-one
SMILESCC(=O)CC(C)(C)O.CC(=O)CC(C)(C)O
InChIInChI=1S/2C6H12O2/c2*1-5(7)4-6(2,3)8/h2*8H,4H2,1-3H3
InChIKeyVZUWENLUHWAQDM-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.47
Rot. Bonds4

About 4-hydroxy-4-methylpentan-2-one

4-hydroxy-4-methylpentan-2-one (PubChem CID 87257073) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4-hydroxy-4-methylpentan-2-one.

Molecular Properties

Compound Name4-hydroxy-4-methylpentan-2-one
PubChem CID87257073
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name4-hydroxy-4-methylpentan-2-one
SMILESCC(=O)CC(C)(C)O.CC(=O)CC(C)(C)O
InChIInChI=1S/2C6H12O2/c2*1-5(7)4-6(2,3)8/h2*8H,4H2,1-3H3
InChIKeyVZUWENLUHWAQDM-UHFFFAOYSA-N
XLogP1.47
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

sodium;4-hydroxy-4-methylpentan-2-one;chloride
CID 174855512
4-hydroxy-4-methylpentan-2-one;methoxymethane
CID 87184803
ethyl acetate;4-hydroxy-4-methylpentan-2-one
CID 121334075
acetic acid;4-hydroxy-4-methylpentan-2-one;methoxymethane;prop-1-ene
CID 173042209
4,4,5,5-tetramethyloctane-2,7-dione
CID 28679
CID 159178711
CID 159178711
4,4-bis(2-oxopropyl)heptane-2,6-dione
CID 118031605
(4S)-5-bromo-4-hydroxy-4-methylpentan-2-one
CID 155123975
2-methyl-4-oxopentan-2-olate
CID 101443169
3-acetyl-3-methylhexane-2,5-dione
CID 12571378
benzene;3-hydroxy-3-methylbutanoic acid
CID 67584950
4-amino-4-methylpentan-2-one;ethane
CID 142087513

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-methylpentan-2-one?
The IUPAC name of 4-hydroxy-4-methylpentan-2-one (CID 87257073) is 4-hydroxy-4-methylpentan-2-one.
What is the SMILES notation for 4-hydroxy-4-methylpentan-2-one?
The canonical SMILES for 4-hydroxy-4-methylpentan-2-one is CC(=O)CC(C)(C)O.CC(=O)CC(C)(C)O.
What is the InChIKey of 4-hydroxy-4-methylpentan-2-one?
The InChIKey is VZUWENLUHWAQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12O2/c2*1-5(7)4-6(2,3)8/h2*8H,4H2,1-3H3.
What are the key properties of 4-hydroxy-4-methylpentan-2-one?
4-hydroxy-4-methylpentan-2-one has a molecular weight of 232.32 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-methylpentan-2-one is sourced from PubChem (CID 87257073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).