(2,3,4-trihydroxycyclopentyl) acetate

C7H12O5 — CID 14105902

IUPAC(2,3,4-trihydroxycyclopentyl) acetate
SMILESCC(=O)OC1CC(O)C(O)C1O
InChIInChI=1S/C7H12O5/c1-3(8)12-5-2-4(9)6(10)7(5)11/h4-7,9-11H,2H2,1H3
InChIKeyJWVWASUZOGJVSA-UHFFFAOYSA-N
MW176.17 g/mol
LogP-1.60
Rot. Bonds1

About (2,3,4-trihydroxycyclopentyl) acetate

(2,3,4-trihydroxycyclopentyl) acetate (PubChem CID 14105902) has the molecular formula C7H12O5 and a molecular weight of 176.17 g/mol. Its IUPAC name is (2,3,4-trihydroxycyclopentyl) acetate.

Molecular Properties

Compound Name(2,3,4-trihydroxycyclopentyl) acetate
PubChem CID14105902
Molecular FormulaC7H12O5
Molecular Weight176.17 g/mol
Exact Mass176.07
IUPAC Name(2,3,4-trihydroxycyclopentyl) acetate
SMILESCC(=O)OC1CC(O)C(O)C1O
InChIInChI=1S/C7H12O5/c1-3(8)12-5-2-4(9)6(10)7(5)11/h4-7,9-11H,2H2,1H3
InChIKeyJWVWASUZOGJVSA-UHFFFAOYSA-N
XLogP-1.60
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R,2S,3R,4S,5R)-4,5-diacetyloxy-2,3-dihydroxycyclohexyl] acetate
CID 102213375
[(1S,2S,3R,4S,6R)-2,3,4,6-tetrahydroxycyclohexyl] acetate
CID 71161221
[(1R,2R,4S,5S)-4-hydroxy-2-bicyclo[3.1.0]hexanyl] acetate
CID 10678468
[(1R,2S,3R,4S)-4-hydroxy-2,3-dimethylcyclopentyl] acetate
CID 130206896
[(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate
CID 67582047
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
(4-hydroxyoxolan-3-yl) acetate
CID 14785283
[(1R,2R,3R,4R)-2,3,4-triacetyloxycyclopentyl] acetate
CID 101209546
[(1R,2S,3R,5R)-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl] acetate
CID 23260988
(2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl) acetate
CID 74037775
CID 101122264
CID 101122264
[(1R,2S,4R,5S)-5-hydroxy-2-bicyclo[2.2.1]heptanyl] acetate
CID 10261524

Frequently Asked Questions

What is the IUPAC name of (2,3,4-trihydroxycyclopentyl) acetate?
The IUPAC name of (2,3,4-trihydroxycyclopentyl) acetate (CID 14105902) is (2,3,4-trihydroxycyclopentyl) acetate.
What is the SMILES notation for (2,3,4-trihydroxycyclopentyl) acetate?
The canonical SMILES for (2,3,4-trihydroxycyclopentyl) acetate is CC(=O)OC1CC(O)C(O)C1O.
What is the InChIKey of (2,3,4-trihydroxycyclopentyl) acetate?
The InChIKey is JWVWASUZOGJVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O5/c1-3(8)12-5-2-4(9)6(10)7(5)11/h4-7,9-11H,2H2,1H3.
What are the key properties of (2,3,4-trihydroxycyclopentyl) acetate?
(2,3,4-trihydroxycyclopentyl) acetate has a molecular weight of 176.17 g/mol, XLogP of -1.60, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4-trihydroxycyclopentyl) acetate is sourced from PubChem (CID 14105902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).