(4-hydroxy-3-oxopentyl) acetate

C7H12O4 — CID 57172165

IUPAC(4-hydroxy-3-oxopentyl) acetate
SMILESCC(=O)OCCC(=O)C(C)O
InChIInChI=1S/C7H12O4/c1-5(8)7(10)3-4-11-6(2)9/h5,8H,3-4H2,1-2H3
InChIKeyNMGNPXHFFHWTQM-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.11
Rot. Bonds4

About (4-hydroxy-3-oxopentyl) acetate

(4-hydroxy-3-oxopentyl) acetate (PubChem CID 57172165) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is (4-hydroxy-3-oxopentyl) acetate.

Molecular Properties

Compound Name(4-hydroxy-3-oxopentyl) acetate
PubChem CID57172165
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name(4-hydroxy-3-oxopentyl) acetate
SMILESCC(=O)OCCC(=O)C(C)O
InChIInChI=1S/C7H12O4/c1-5(8)7(10)3-4-11-6(2)9/h5,8H,3-4H2,1-2H3
InChIKeyNMGNPXHFFHWTQM-UHFFFAOYSA-N
XLogP-0.11
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl acetate;bis(propan-2-ol)
CID 87186921
(3-amino-3-oxopropyl) acetate
CID 19981550
ethyl acetate;propan-2-ol;hydrate
CID 22041847
ethyl 2-hydroxypropanoate;3-methylbutyl acetate
CID 159025256
ethanol;ethyl acetate
CID 173022006
bis(butan-2-ol);ethyl acetate
CID 139558654
acetic acid;ethyl acetate;propan-2-ol
CID 23298224
2-hydroxyethyl acetate;propane-1,2-diol
CID 158780453
ethanol;ethyl acetate;hydrate
CID 86601158
2-acetyloxyethyl(trimethyl)azanium;2-hydroxypropanoic acid
CID 158766752
ethyl acetate;2-methylpropanamide
CID 174848751
ethyl acetate;hydroiodide
CID 159926796

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-oxopentyl) acetate?
The IUPAC name of (4-hydroxy-3-oxopentyl) acetate (CID 57172165) is (4-hydroxy-3-oxopentyl) acetate.
What is the SMILES notation for (4-hydroxy-3-oxopentyl) acetate?
The canonical SMILES for (4-hydroxy-3-oxopentyl) acetate is CC(=O)OCCC(=O)C(C)O.
What is the InChIKey of (4-hydroxy-3-oxopentyl) acetate?
The InChIKey is NMGNPXHFFHWTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-5(8)7(10)3-4-11-6(2)9/h5,8H,3-4H2,1-2H3.
What are the key properties of (4-hydroxy-3-oxopentyl) acetate?
(4-hydroxy-3-oxopentyl) acetate has a molecular weight of 160.17 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-oxopentyl) acetate is sourced from PubChem (CID 57172165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).