(2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl) acetate

C8H12O5 — CID 74037775

IUPAC(2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl) acetate
SMILESCC(=O)OC1CC2OCC(O2)C1O
InChIInChI=1S/C8H12O5/c1-4(9)12-5-2-7-11-3-6(13-7)8(5)10/h5-8,10H,2-3H2,1H3
InChIKeyHDICFNKBAQRHJY-UHFFFAOYSA-N
MW188.18 g/mol
LogP-0.58
Rot. Bonds1

About (2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl) acetate

(2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl) acetate (PubChem CID 74037775) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is (2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl) acetate.

Molecular Properties

Compound Name(2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl) acetate
PubChem CID74037775
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Name(2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl) acetate
SMILESCC(=O)OC1CC2OCC(O2)C1O
InChIInChI=1S/C8H12O5/c1-4(9)12-5-2-7-11-3-6(13-7)8(5)10/h5-8,10H,2-3H2,1H3
InChIKeyHDICFNKBAQRHJY-UHFFFAOYSA-N
XLogP-0.58
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R,2S,3R,5R)-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl] acetate
CID 23260988
(2,3,4-trihydroxycyclopentyl) acetate
CID 14105902
[(4aR,6S,8S,8aS)-6-hydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate
CID 56636288
[(1S,2R,3R,4S,5S)-4-acetyloxy-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate
CID 51346406
[(1R,2S,3R,4S,5R)-4,5-diacetyloxy-2,3-dihydroxycyclohexyl] acetate
CID 102213375
(1S,4S,5S)-2,7-dioxabicyclo[2.2.1]heptan-5-ol
CID 91588647
[(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate
CID 67582047
[(3S,4S,5R,6S)-4,6-diacetyloxy-5-hydroxyoxan-3-yl] acetate
CID 11903840
[(3S,4S,5R,6R)-5-acetyloxy-4,6-dihydroxyoxan-3-yl] acetate
CID 91848771
[(3R,4S,5R)-5-acetyloxy-4,6-dihydroxyoxan-3-yl] acetate
CID 91847015
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
[(3R,4R,5S,6R)-4,5-diacetyloxy-6-hydroxyoxan-3-yl] acetate
CID 26280917

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl) acetate?
The IUPAC name of (2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl) acetate (CID 74037775) is (2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl) acetate.
What is the SMILES notation for (2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl) acetate?
The canonical SMILES for (2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl) acetate is CC(=O)OC1CC2OCC(O2)C1O.
What is the InChIKey of (2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl) acetate?
The InChIKey is HDICFNKBAQRHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O5/c1-4(9)12-5-2-7-11-3-6(13-7)8(5)10/h5-8,10H,2-3H2,1H3.
What are the key properties of (2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl) acetate?
(2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl) acetate has a molecular weight of 188.18 g/mol, XLogP of -0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl) acetate is sourced from PubChem (CID 74037775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).