methyl (2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate

C11H18O6 — CID 12027170

IUPACmethyl (2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
SMILESCOC(=O)[C@](C)(OC(C)=O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H18O6/c1-7(12)16-11(4,9(13)14-5)8-6-15-10(2,3)17-8/h8H,6H2,1-5H3/t8-,11-/m1/s1
InChIKeyWIGMCMASIMWAEU-LDYMZIIASA-N
MW246.26 g/mol
LogP0.63
Rot. Bonds3

About methyl (2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate

methyl (2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate (PubChem CID 12027170) has the molecular formula C11H18O6 and a molecular weight of 246.26 g/mol. Its IUPAC name is methyl (2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
PubChem CID12027170
Molecular FormulaC11H18O6
Molecular Weight246.26 g/mol
Exact Mass246.11
IUPAC Namemethyl (2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
SMILESCOC(=O)[C@](C)(OC(C)=O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H18O6/c1-7(12)16-11(4,9(13)14-5)8-6-15-10(2,3)17-8/h8H,6H2,1-5H3/t8-,11-/m1/s1
InChIKeyWIGMCMASIMWAEU-LDYMZIIASA-N
XLogP0.63
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate?
The IUPAC name of methyl (2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate (CID 12027170) is methyl (2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate.
What is the SMILES notation for methyl (2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate?
The canonical SMILES for methyl (2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate is COC(=O)[C@](C)(OC(C)=O)[C@H]1COC(C)(C)O1.
What is the InChIKey of methyl (2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate?
The InChIKey is WIGMCMASIMWAEU-LDYMZIIASA-N. The full InChI is InChI=1S/C11H18O6/c1-7(12)16-11(4,9(13)14-5)8-6-15-10(2,3)17-8/h8H,6H2,1-5H3/t8-,11-/m1/s1.
What are the key properties of methyl (2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate?
methyl (2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate has a molecular weight of 246.26 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate is sourced from PubChem (CID 12027170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).