[(2R,3R,4S,5S)-4-acetyloxy-2,5-di(propan-2-yl)oxolan-3-yl] acetate

C14H24O5 — CID 164775782

IUPAC[(2R,3R,4S,5S)-4-acetyloxy-2,5-di(propan-2-yl)oxolan-3-yl] acetate
SMILESCC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](C(C)C)O[C@H]1C(C)C
InChIInChI=1S/C14H24O5/c1-7(2)11-13(17-9(5)15)14(18-10(6)16)12(19-11)8(3)4/h7-8,11-14H,1-6H3/t11-,12+,13-,14+
InChIKeyIEPXTJFTLXCDCB-KPWCQOOUSA-N
MW272.34 g/mol
LogP1.93
Rot. Bonds4

About [(2R,3R,4S,5S)-4-acetyloxy-2,5-di(propan-2-yl)oxolan-3-yl] acetate

[(2R,3R,4S,5S)-4-acetyloxy-2,5-di(propan-2-yl)oxolan-3-yl] acetate (PubChem CID 164775782) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is [(2R,3R,4S,5S)-4-acetyloxy-2,5-di(propan-2-yl)oxolan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4S,5S)-4-acetyloxy-2,5-di(propan-2-yl)oxolan-3-yl] acetate
PubChem CID164775782
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name[(2R,3R,4S,5S)-4-acetyloxy-2,5-di(propan-2-yl)oxolan-3-yl] acetate
SMILESCC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](C(C)C)O[C@H]1C(C)C
InChIInChI=1S/C14H24O5/c1-7(2)11-13(17-9(5)15)14(18-10(6)16)12(19-11)8(3)4/h7-8,11-14H,1-6H3/t11-,12+,13-,14+
InChIKeyIEPXTJFTLXCDCB-KPWCQOOUSA-N
XLogP1.93
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R,3R,4S,5S)-4-acetyloxy-2,5-di(propan-2-yl)oxolan-3-yl] acetate with MolForge

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Related Compounds

[(2S,3S,4S,5S)-3,4,5-triacetyloxy-6-propan-2-yloxan-2-yl]methyl acetate
CID 135223999
[(3S,4R,5R,6S)-2,3,5-triacetyloxy-6-[(1S)-1-acetyloxyethyl]oxan-4-yl] acetate
CID 173075340
[4-acetyloxy-2-(1-acetyloxyethyl)-5-methoxyoxolan-3-yl] acetate
CID 575602
[(2S,3R,4S,5R)-2,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-3-yl] acetate
CID 91845036
[(3S,6R)-3,5-diacetyloxy-2-(difluoromethyl)-6-hydroxyoxan-4-yl] acetate
CID 174144673
[(2S,5S)-2,3,5,6-tetraacetyloxyoxan-4-yl] acetate
CID 134940268
[4,5-diacetyloxy-2-(1-acetyloxy-2-amino-2-oxoethyl)oxolan-3-yl] acetate
CID 539106
[phosphono-[(3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]methyl]phosphonic acid
CID 90833962
[(3S,5R,6R)-3,5-diacetyloxy-2,6-dimethoxyoxan-4-yl] acetate
CID 134937092
[2-fluoro-2-[(2S,3S,4S,5S)-3,4,5-triacetyloxy-6-hydroxyoxan-2-yl]ethyl] acetate
CID 155091236
[2-fluoro-2-[(2S,3S,4S,5S)-3,4,5,6-tetraacetyloxyoxan-2-yl]ethyl] acetate
CID 155091138
[(3R,4S,5R,6R)-3,5-diacetyloxy-2-bromo-6-[(1S)-1-prop-2-enoxyethyl]oxan-4-yl] acetate
CID 67734682

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5S)-4-acetyloxy-2,5-di(propan-2-yl)oxolan-3-yl] acetate?
The IUPAC name of [(2R,3R,4S,5S)-4-acetyloxy-2,5-di(propan-2-yl)oxolan-3-yl] acetate (CID 164775782) is [(2R,3R,4S,5S)-4-acetyloxy-2,5-di(propan-2-yl)oxolan-3-yl] acetate.
What is the SMILES notation for [(2R,3R,4S,5S)-4-acetyloxy-2,5-di(propan-2-yl)oxolan-3-yl] acetate?
The canonical SMILES for [(2R,3R,4S,5S)-4-acetyloxy-2,5-di(propan-2-yl)oxolan-3-yl] acetate is CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](C(C)C)O[C@H]1C(C)C.
What is the InChIKey of [(2R,3R,4S,5S)-4-acetyloxy-2,5-di(propan-2-yl)oxolan-3-yl] acetate?
The InChIKey is IEPXTJFTLXCDCB-KPWCQOOUSA-N. The full InChI is InChI=1S/C14H24O5/c1-7(2)11-13(17-9(5)15)14(18-10(6)16)12(19-11)8(3)4/h7-8,11-14H,1-6H3/t11-,12+,13-,14+.
What are the key properties of [(2R,3R,4S,5S)-4-acetyloxy-2,5-di(propan-2-yl)oxolan-3-yl] acetate?
[(2R,3R,4S,5S)-4-acetyloxy-2,5-di(propan-2-yl)oxolan-3-yl] acetate has a molecular weight of 272.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5S)-4-acetyloxy-2,5-di(propan-2-yl)oxolan-3-yl] acetate is sourced from PubChem (CID 164775782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).