(4-acetyloxy-5-ethynyloxolan-3-yl) acetate

C10H12O5 — CID 153379360

IUPAC(4-acetyloxy-5-ethynyloxolan-3-yl) acetate
SMILESC#CC1OCC(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C10H12O5/c1-4-8-10(15-7(3)12)9(5-13-8)14-6(2)11/h1,8-10H,5H2,2-3H3
InChIKeyZDOZRHUXYSJWDG-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.12
Rot. Bonds2

About (4-acetyloxy-5-ethynyloxolan-3-yl) acetate

(4-acetyloxy-5-ethynyloxolan-3-yl) acetate (PubChem CID 153379360) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is (4-acetyloxy-5-ethynyloxolan-3-yl) acetate.

Molecular Properties

Compound Name(4-acetyloxy-5-ethynyloxolan-3-yl) acetate
PubChem CID153379360
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name(4-acetyloxy-5-ethynyloxolan-3-yl) acetate
SMILESC#CC1OCC(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C10H12O5/c1-4-8-10(15-7(3)12)9(5-13-8)14-6(2)11/h1,8-10H,5H2,2-3H3
InChIKeyZDOZRHUXYSJWDG-UHFFFAOYSA-N
XLogP-0.12
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(3R,4S,5R,6R)-4,5,6-triacetyloxyoxan-3-yl] acetate
CID 12907258
[(3R,4R,5S,6R)-4,5-diacetyloxy-6-hydroxyoxan-3-yl] acetate
CID 26280917
[(4S,5R,6S)-4,5-diacetyloxy-6-methyloxan-3-yl] acetate
CID 163908102
[(3R,4R,5R,6S)-4,5-diacetyloxy-6-hydroxyoxan-3-yl] acetate
CID 11346418
[(3S,4S,5R,6S)-4,6-diacetyloxy-5-hydroxyoxan-3-yl] acetate
CID 11903840
[(3S,6R)-4,5-diacetyloxy-6-bromooxan-3-yl] acetate
CID 134859457
[(3R,4S,5R)-4,5-diacetyloxy-6-bromooxyoxan-3-yl] acetate
CID 139488832
dimethyl-[2-oxo-2-[(2S,3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxyethyl]-prop-2-ynylazanium
CID 162770862
[(3R,4S,5R,6S)-5-acetyloxy-4,6-dimethoxyoxan-3-yl] acetate
CID 22212825
methyl (2R,3S,4S,5R)-3,4,5-triacetyloxyoxane-2-carboxylate
CID 100924415
[(3S,4S,5S,6S)-4,5-diacetyloxy-6-(hydroxymethyl)oxan-3-yl] acetate
CID 153365112
[(3R,4S,5R,6S)-4,5-diacetyloxy-6-[(3R,4S,5R,6S)-4,5,6-triacetyloxyoxan-3-yl]oxyoxan-3-yl] acetate
CID 10951584

Frequently Asked Questions

What is the IUPAC name of (4-acetyloxy-5-ethynyloxolan-3-yl) acetate?
The IUPAC name of (4-acetyloxy-5-ethynyloxolan-3-yl) acetate (CID 153379360) is (4-acetyloxy-5-ethynyloxolan-3-yl) acetate.
What is the SMILES notation for (4-acetyloxy-5-ethynyloxolan-3-yl) acetate?
The canonical SMILES for (4-acetyloxy-5-ethynyloxolan-3-yl) acetate is C#CC1OCC(OC(C)=O)C1OC(C)=O.
What is the InChIKey of (4-acetyloxy-5-ethynyloxolan-3-yl) acetate?
The InChIKey is ZDOZRHUXYSJWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-4-8-10(15-7(3)12)9(5-13-8)14-6(2)11/h1,8-10H,5H2,2-3H3.
What are the key properties of (4-acetyloxy-5-ethynyloxolan-3-yl) acetate?
(4-acetyloxy-5-ethynyloxolan-3-yl) acetate has a molecular weight of 212.20 g/mol, XLogP of -0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyloxy-5-ethynyloxolan-3-yl) acetate is sourced from PubChem (CID 153379360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).