[(2R)-1-acetyloxy-3-hydroxypropan-2-yl] 2,2-dimethylpropanoate

C10H18O5 — CID 102240504

IUPAC[(2R)-1-acetyloxy-3-hydroxypropan-2-yl] 2,2-dimethylpropanoate
SMILESCC(=O)OC[C@@H](CO)OC(=O)C(C)(C)C
InChIInChI=1S/C10H18O5/c1-7(12)14-6-8(5-11)15-9(13)10(2,3)4/h8,11H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyCMUXNWCDRMPTHL-MRVPVSSYSA-N
MW218.25 g/mol
LogP0.50
Rot. Bonds4

About [(2R)-1-acetyloxy-3-hydroxypropan-2-yl] 2,2-dimethylpropanoate

[(2R)-1-acetyloxy-3-hydroxypropan-2-yl] 2,2-dimethylpropanoate (PubChem CID 102240504) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is [(2R)-1-acetyloxy-3-hydroxypropan-2-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R)-1-acetyloxy-3-hydroxypropan-2-yl] 2,2-dimethylpropanoate
PubChem CID102240504
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name[(2R)-1-acetyloxy-3-hydroxypropan-2-yl] 2,2-dimethylpropanoate
SMILESCC(=O)OC[C@@H](CO)OC(=O)C(C)(C)C
InChIInChI=1S/C10H18O5/c1-7(12)14-6-8(5-11)15-9(13)10(2,3)4/h8,11H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyCMUXNWCDRMPTHL-MRVPVSSYSA-N
XLogP0.50
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-acetyloxy-3-hydroxypropan-2-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(2R)-1-acetyloxy-3-hydroxypropan-2-yl] 2,2-dimethylpropanoate (CID 102240504) is [(2R)-1-acetyloxy-3-hydroxypropan-2-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R)-1-acetyloxy-3-hydroxypropan-2-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2R)-1-acetyloxy-3-hydroxypropan-2-yl] 2,2-dimethylpropanoate is CC(=O)OC[C@@H](CO)OC(=O)C(C)(C)C.
What is the InChIKey of [(2R)-1-acetyloxy-3-hydroxypropan-2-yl] 2,2-dimethylpropanoate?
The InChIKey is CMUXNWCDRMPTHL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18O5/c1-7(12)14-6-8(5-11)15-9(13)10(2,3)4/h8,11H,5-6H2,1-4H3/t8-/m1/s1.
What are the key properties of [(2R)-1-acetyloxy-3-hydroxypropan-2-yl] 2,2-dimethylpropanoate?
[(2R)-1-acetyloxy-3-hydroxypropan-2-yl] 2,2-dimethylpropanoate has a molecular weight of 218.25 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-acetyloxy-3-hydroxypropan-2-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 102240504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).