4-hydroxy-3-(2-hydroxyethyl)pentan-2-one

C7H14O3 — CID 174607170

IUPAC4-hydroxy-3-(2-hydroxyethyl)pentan-2-one
SMILESCC(=O)C(CCO)C(C)O
InChIInChI=1S/C7H14O3/c1-5(9)7(3-4-8)6(2)10/h5,7-9H,3-4H2,1-2H3
InChIKeyWLLVEZFVLNMGPN-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.05
Rot. Bonds4

About 4-hydroxy-3-(2-hydroxyethyl)pentan-2-one

4-hydroxy-3-(2-hydroxyethyl)pentan-2-one (PubChem CID 174607170) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 4-hydroxy-3-(2-hydroxyethyl)pentan-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(2-hydroxyethyl)pentan-2-one
PubChem CID174607170
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name4-hydroxy-3-(2-hydroxyethyl)pentan-2-one
SMILESCC(=O)C(CCO)C(C)O
InChIInChI=1S/C7H14O3/c1-5(9)7(3-4-8)6(2)10/h5,7-9H,3-4H2,1-2H3
InChIKeyWLLVEZFVLNMGPN-UHFFFAOYSA-N
XLogP-0.05
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-3-(2-hydroxyethyl)-4-methylhexan-2-one
CID 103343985
(3R,4R)-4-hydroxy-3-(2-iodoethyl)pentan-2-one
CID 102014025
3-(1-hydroxyethyl)heptane-2,6-dione
CID 175277175
3-(1-hydroxyethyl)-5-methylhexan-2-one
CID 130027593
ethane-1,2-diol;propan-2-ol;propan-2-one
CID 129307519
3-(2-hydroxyethyl)pentane-2,4-dione;iron
CID 174902322
6-hydroxy-3-propan-2-ylhexan-2-one
CID 20681326
3-aminopentane-1,4-diol
CID 23064801
bis(ethane-1,2-diol);bis(propan-2-one)
CID 158462178
ethanol;methanol;propan-2-ol;propan-2-one
CID 159107328
3-[2-(2-hydroxyethoxy)ethyl]-4-methylpentan-2-one
CID 79417699
butane-1,3-diol
CID 159666523

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2-hydroxyethyl)pentan-2-one?
The IUPAC name of 4-hydroxy-3-(2-hydroxyethyl)pentan-2-one (CID 174607170) is 4-hydroxy-3-(2-hydroxyethyl)pentan-2-one.
What is the SMILES notation for 4-hydroxy-3-(2-hydroxyethyl)pentan-2-one?
The canonical SMILES for 4-hydroxy-3-(2-hydroxyethyl)pentan-2-one is CC(=O)C(CCO)C(C)O.
What is the InChIKey of 4-hydroxy-3-(2-hydroxyethyl)pentan-2-one?
The InChIKey is WLLVEZFVLNMGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-5(9)7(3-4-8)6(2)10/h5,7-9H,3-4H2,1-2H3.
What are the key properties of 4-hydroxy-3-(2-hydroxyethyl)pentan-2-one?
4-hydroxy-3-(2-hydroxyethyl)pentan-2-one has a molecular weight of 146.19 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2-hydroxyethyl)pentan-2-one is sourced from PubChem (CID 174607170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).