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

C11H18O5 — CID 58159411

IUPAC[(2R,3S,4S,5S)-3-acetyloxy-4,5-dimethyloxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@@H](C)[C@H](C)[C@@H]1OC(C)=O
InChIInChI=1S/C11H18O5/c1-6-7(2)15-10(5-14-8(3)12)11(6)16-9(4)13/h6-7,10-11H,5H2,1-4H3/t6-,7-,10+,11-/m0/s1
InChIKeyFIENFMPIEAUFGQ-JDYBYMESSA-N
MW230.26 g/mol
LogP0.90
Rot. Bonds3

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

[(2R,3S,4S,5S)-3-acetyloxy-4,5-dimethyloxolan-2-yl]methyl acetate (PubChem CID 58159411) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is [(2R,3S,4S,5S)-3-acetyloxy-4,5-dimethyloxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,4S,5S)-3-acetyloxy-4,5-dimethyloxolan-2-yl]methyl acetate
PubChem CID58159411
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name[(2R,3S,4S,5S)-3-acetyloxy-4,5-dimethyloxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@@H](C)[C@H](C)[C@@H]1OC(C)=O
InChIInChI=1S/C11H18O5/c1-6-7(2)15-10(5-14-8(3)12)11(6)16-9(4)13/h6-7,10-11H,5H2,1-4H3/t6-,7-,10+,11-/m0/s1
InChIKeyFIENFMPIEAUFGQ-JDYBYMESSA-N
XLogP0.90
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-acetyloxy-4,5,6-trimethyloxan-2-yl)methyl acetate
CID 70208070
[(3S,4R,6S)-3,4-diacetyloxy-5,6-dimethyloxan-2-yl]methyl acetate
CID 71155336
[(3R,6R)-4-acetyloxy-3-hydroxy-5,6-dimethyloxan-2-yl]methyl acetate
CID 118473583
[(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate
CID 131700350
[(5S)-3-acetyloxy-4,6-dihydroxy-5-methyloxan-2-yl]methyl acetate
CID 121245910
[(5R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]methyl acetate
CID 118601719
[(6S)-5-acetamido-3-acetyloxy-4,6-dimethyloxan-2-yl]methyl acetate;ethane
CID 160503920
[(3S,4S,6S)-5-acetyloxy-3,4-dimethoxy-6-methyloxan-2-yl]methyl acetate
CID 58919166
[(3R,6S)-3,6-diacetyloxy-5-methoxy-4-methyloxan-2-yl]methyl acetate
CID 155462846
[(2R,3R,4R,5R)-3,5-diacetyloxy-4-carbamoyloxy-6-methyloxan-2-yl]methyl acetate
CID 134350670
(3-acetyloxy-4-hydroxy-6-methoxy-5-methyloxan-2-yl)methyl acetate
CID 59701764
[(2R,3S,4R)-3,5-diacetyloxy-4-hydroxyoxolan-2-yl]methyl acetate
CID 141190412

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5S)-3-acetyloxy-4,5-dimethyloxolan-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,4S,5S)-3-acetyloxy-4,5-dimethyloxolan-2-yl]methyl acetate (CID 58159411) is [(2R,3S,4S,5S)-3-acetyloxy-4,5-dimethyloxolan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,4S,5S)-3-acetyloxy-4,5-dimethyloxolan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,4S,5S)-3-acetyloxy-4,5-dimethyloxolan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@@H](C)[C@H](C)[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3S,4S,5S)-3-acetyloxy-4,5-dimethyloxolan-2-yl]methyl acetate?
The InChIKey is FIENFMPIEAUFGQ-JDYBYMESSA-N. The full InChI is InChI=1S/C11H18O5/c1-6-7(2)15-10(5-14-8(3)12)11(6)16-9(4)13/h6-7,10-11H,5H2,1-4H3/t6-,7-,10+,11-/m0/s1.
What are the key properties of [(2R,3S,4S,5S)-3-acetyloxy-4,5-dimethyloxolan-2-yl]methyl acetate?
[(2R,3S,4S,5S)-3-acetyloxy-4,5-dimethyloxolan-2-yl]methyl acetate has a molecular weight of 230.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5S)-3-acetyloxy-4,5-dimethyloxolan-2-yl]methyl acetate is sourced from PubChem (CID 58159411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).