(3-hydroxy-5-oxocyclopenten-1-yl)methyl acetate

C8H10O4 — CID 142487361

IUPAC(3-hydroxy-5-oxocyclopenten-1-yl)methyl acetate
SMILESCC(=O)OCC1=CC(O)CC1=O
InChIInChI=1S/C8H10O4/c1-5(9)12-4-6-2-7(10)3-8(6)11/h2,7,10H,3-4H2,1H3
InChIKeyNJZDNGGFBGBUBA-UHFFFAOYSA-N
MW170.16 g/mol
LogP-0.19
Rot. Bonds2

About (3-hydroxy-5-oxocyclopenten-1-yl)methyl acetate

(3-hydroxy-5-oxocyclopenten-1-yl)methyl acetate (PubChem CID 142487361) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is (3-hydroxy-5-oxocyclopenten-1-yl)methyl acetate.

Molecular Properties

Compound Name(3-hydroxy-5-oxocyclopenten-1-yl)methyl acetate
PubChem CID142487361
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name(3-hydroxy-5-oxocyclopenten-1-yl)methyl acetate
SMILESCC(=O)OCC1=CC(O)CC1=O
InChIInChI=1S/C8H10O4/c1-5(9)12-4-6-2-7(10)3-8(6)11/h2,7,10H,3-4H2,1H3
InChIKeyNJZDNGGFBGBUBA-UHFFFAOYSA-N
XLogP-0.19
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-hydroxy-2-(silyloxymethyl)cyclopent-2-en-1-one
CID 175830816
(4S)-2-ethyl-4-hydroxycyclopent-2-en-1-one
CID 58922282
4-hydroxy-2-(methylsulfanylmethyl)cyclopent-2-en-1-one
CID 168967939
(3,4,5-trihydroxy-6-oxocyclohexen-1-yl)methyl acetate
CID 72780163
(4R)-4-hydroxy-2-pentylcyclopent-2-en-1-one
CID 13158022
(4S)-4-hydroxy-2-prop-2-enylcyclopent-2-en-1-one
CID 13037858
methyl 7-[(3S)-3-hydroxy-5-oxocyclopenten-1-yl]hept-4-enoate
CID 57100467
4-hydroxy-2-(8-methoxy-7-oxooctyl)cyclopent-2-en-1-one
CID 12786171
ethyl (Z)-7-(3-hydroxy-5-oxocyclopenten-1-yl)hept-5-enoate
CID 134863248
(E)-7-(3-hydroxy-5-oxocyclopenten-1-yl)-2-methylhept-2-enoate
CID 23167668
7-(3-hydroxy-5-oxocyclopenten-1-yl)heptanoate
CID 20541510
(5-methylidene-6-oxocyclohexen-1-yl)methyl acetate
CID 101419250

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-5-oxocyclopenten-1-yl)methyl acetate?
The IUPAC name of (3-hydroxy-5-oxocyclopenten-1-yl)methyl acetate (CID 142487361) is (3-hydroxy-5-oxocyclopenten-1-yl)methyl acetate.
What is the SMILES notation for (3-hydroxy-5-oxocyclopenten-1-yl)methyl acetate?
The canonical SMILES for (3-hydroxy-5-oxocyclopenten-1-yl)methyl acetate is CC(=O)OCC1=CC(O)CC1=O.
What is the InChIKey of (3-hydroxy-5-oxocyclopenten-1-yl)methyl acetate?
The InChIKey is NJZDNGGFBGBUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-5(9)12-4-6-2-7(10)3-8(6)11/h2,7,10H,3-4H2,1H3.
What are the key properties of (3-hydroxy-5-oxocyclopenten-1-yl)methyl acetate?
(3-hydroxy-5-oxocyclopenten-1-yl)methyl acetate has a molecular weight of 170.16 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-5-oxocyclopenten-1-yl)methyl acetate is sourced from PubChem (CID 142487361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).