[(2S)-2-acetyloxy-4-methyl-2,3-dihydrofuran-5-yl]methyl acetate

C10H14O5 — CID 175628636

IUPAC[(2S)-2-acetyloxy-4-methyl-2,3-dihydrofuran-5-yl]methyl acetate
SMILESCC(=O)OCC1=C(C)C[C@H](OC(C)=O)O1
InChIInChI=1S/C10H14O5/c1-6-4-10(14-8(3)12)15-9(6)5-13-7(2)11/h10H,4-5H2,1-3H3/t10-/m1/s1
InChIKeyFEISNHGOTXVSBO-SNVBAGLBSA-N
MW214.22 g/mol
LogP1.13
Rot. Bonds3

About [(2S)-2-acetyloxy-4-methyl-2,3-dihydrofuran-5-yl]methyl acetate

[(2S)-2-acetyloxy-4-methyl-2,3-dihydrofuran-5-yl]methyl acetate (PubChem CID 175628636) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is [(2S)-2-acetyloxy-4-methyl-2,3-dihydrofuran-5-yl]methyl acetate.

Molecular Properties

Compound Name[(2S)-2-acetyloxy-4-methyl-2,3-dihydrofuran-5-yl]methyl acetate
PubChem CID175628636
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name[(2S)-2-acetyloxy-4-methyl-2,3-dihydrofuran-5-yl]methyl acetate
SMILESCC(=O)OCC1=C(C)C[C@H](OC(C)=O)O1
InChIInChI=1S/C10H14O5/c1-6-4-10(14-8(3)12)15-9(6)5-13-7(2)11/h10H,4-5H2,1-3H3/t10-/m1/s1
InChIKeyFEISNHGOTXVSBO-SNVBAGLBSA-N
XLogP1.13
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methyl-1,3-dioxol-4-yl)methyl acetate
CID 163804713
[(2S,3R,4R)-2,3,4,5-tetraacetyloxy-3,4-dihydro-2H-pyran-6-yl]methyl acetate
CID 70003343
[(2S)-4-acetyloxy-1,3-dioxolan-2-yl]methyl acetate
CID 118903241
(4,9-dioxo-2,3-dihydrobenzo[f][1]benzofuran-2-yl) acetate
CID 10658838
[(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-methylideneoxan-2-yl]methyl acetate
CID 11290867
[(2S,5R)-5-acetyloxy-1,3-oxathiolan-2-yl]methyl acetate
CID 54269499
[(2R)-3,5-diacetyloxyoxolan-2-yl]methyl acetate
CID 121297431
[3-(acetyloxymethyl)-4-methylcyclopent-3-en-1-yl] 2-diazoacetate
CID 135523967
2-(3-oxocyclobutyl)ethyl acetate
CID 72736668
[(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate
CID 131700350
[3,6,7-tris(acetyloxymethyl)-1,4,5,8-tetrahydronaphthalen-2-yl]methyl acetate
CID 10093584
[(3S,4S,6S)-5-acetyloxy-3,4-dimethoxy-6-methyloxan-2-yl]methyl acetate
CID 58919166

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-acetyloxy-4-methyl-2,3-dihydrofuran-5-yl]methyl acetate?
The IUPAC name of [(2S)-2-acetyloxy-4-methyl-2,3-dihydrofuran-5-yl]methyl acetate (CID 175628636) is [(2S)-2-acetyloxy-4-methyl-2,3-dihydrofuran-5-yl]methyl acetate.
What is the SMILES notation for [(2S)-2-acetyloxy-4-methyl-2,3-dihydrofuran-5-yl]methyl acetate?
The canonical SMILES for [(2S)-2-acetyloxy-4-methyl-2,3-dihydrofuran-5-yl]methyl acetate is CC(=O)OCC1=C(C)C[C@H](OC(C)=O)O1.
What is the InChIKey of [(2S)-2-acetyloxy-4-methyl-2,3-dihydrofuran-5-yl]methyl acetate?
The InChIKey is FEISNHGOTXVSBO-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14O5/c1-6-4-10(14-8(3)12)15-9(6)5-13-7(2)11/h10H,4-5H2,1-3H3/t10-/m1/s1.
What are the key properties of [(2S)-2-acetyloxy-4-methyl-2,3-dihydrofuran-5-yl]methyl acetate?
[(2S)-2-acetyloxy-4-methyl-2,3-dihydrofuran-5-yl]methyl acetate has a molecular weight of 214.22 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-acetyloxy-4-methyl-2,3-dihydrofuran-5-yl]methyl acetate is sourced from PubChem (CID 175628636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).