methyl (2R,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2,4,5-trimethyloxane-2-carboxylate

C15H26O5 — CID 90352391

IUPACmethyl (2R,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2,4,5-trimethyloxane-2-carboxylate
SMILESCOC(=O)[C@@]1(C)C[C@@H](C)[C@@H](C)C([C@H](C)COC(C)=O)O1
InChIInChI=1S/C15H26O5/c1-9-7-15(5,14(17)18-6)20-13(11(9)3)10(2)8-19-12(4)16/h9-11,13H,7-8H2,1-6H3/t9-,10-,11-,13?,15-/m1/s1
InChIKeySIYKMDCYBPAXCX-NUXPOAFSSA-N
MW286.37 g/mol
LogP2.18
Rot. Bonds4

About methyl (2R,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2,4,5-trimethyloxane-2-carboxylate

methyl (2R,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2,4,5-trimethyloxane-2-carboxylate (PubChem CID 90352391) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is methyl (2R,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2,4,5-trimethyloxane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2,4,5-trimethyloxane-2-carboxylate
PubChem CID90352391
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Namemethyl (2R,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2,4,5-trimethyloxane-2-carboxylate
SMILESCOC(=O)[C@@]1(C)C[C@@H](C)[C@@H](C)C([C@H](C)COC(C)=O)O1
InChIInChI=1S/C15H26O5/c1-9-7-15(5,14(17)18-6)20-13(11(9)3)10(2)8-19-12(4)16/h9-11,13H,7-8H2,1-6H3/t9-,10-,11-,13?,15-/m1/s1
InChIKeySIYKMDCYBPAXCX-NUXPOAFSSA-N
XLogP2.18
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (2R,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2,4,5-trimethyloxane-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2,4,5-trimethyloxane-2-carboxylate?
The IUPAC name of methyl (2R,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2,4,5-trimethyloxane-2-carboxylate (CID 90352391) is methyl (2R,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2,4,5-trimethyloxane-2-carboxylate.
What is the SMILES notation for methyl (2R,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2,4,5-trimethyloxane-2-carboxylate?
The canonical SMILES for methyl (2R,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2,4,5-trimethyloxane-2-carboxylate is COC(=O)[C@@]1(C)C[C@@H](C)[C@@H](C)C([C@H](C)COC(C)=O)O1.
What is the InChIKey of methyl (2R,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2,4,5-trimethyloxane-2-carboxylate?
The InChIKey is SIYKMDCYBPAXCX-NUXPOAFSSA-N. The full InChI is InChI=1S/C15H26O5/c1-9-7-15(5,14(17)18-6)20-13(11(9)3)10(2)8-19-12(4)16/h9-11,13H,7-8H2,1-6H3/t9-,10-,11-,13?,15-/m1/s1.
What are the key properties of methyl (2R,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2,4,5-trimethyloxane-2-carboxylate?
methyl (2R,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2,4,5-trimethyloxane-2-carboxylate has a molecular weight of 286.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2,4,5-trimethyloxane-2-carboxylate is sourced from PubChem (CID 90352391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).