methyl 2-hydroxy-2-(2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)acetate

C11H18O6 — CID 71182490

IUPACmethyl 2-hydroxy-2-(2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)acetate
SMILESCOC(=O)C(O)C1OC2OC(C)(C)OC2C1C
InChIInChI=1S/C11H18O6/c1-5-7(6(12)9(13)14-4)15-10-8(5)16-11(2,3)17-10/h5-8,10,12H,1-4H3
InChIKeyGCEDIMGXOHVMAM-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.03
Rot. Bonds2

About methyl 2-hydroxy-2-(2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)acetate

methyl 2-hydroxy-2-(2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)acetate (PubChem CID 71182490) has the molecular formula C11H18O6 and a molecular weight of 246.26 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)acetate
PubChem CID71182490
Molecular FormulaC11H18O6
Molecular Weight246.26 g/mol
Exact Mass246.11
IUPAC Namemethyl 2-hydroxy-2-(2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)acetate
SMILESCOC(=O)C(O)C1OC2OC(C)(C)OC2C1C
InChIInChI=1S/C11H18O6/c1-5-7(6(12)9(13)14-4)15-10-8(5)16-11(2,3)17-10/h5-8,10,12H,1-4H3
InChIKeyGCEDIMGXOHVMAM-UHFFFAOYSA-N
XLogP0.03
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)acetate (CID 71182490) is methyl 2-hydroxy-2-(2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)acetate is COC(=O)C(O)C1OC2OC(C)(C)OC2C1C.
What is the InChIKey of methyl 2-hydroxy-2-(2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)acetate?
The InChIKey is GCEDIMGXOHVMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O6/c1-5-7(6(12)9(13)14-4)15-10-8(5)16-11(2,3)17-10/h5-8,10,12H,1-4H3.
What are the key properties of methyl 2-hydroxy-2-(2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)acetate?
methyl 2-hydroxy-2-(2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)acetate has a molecular weight of 246.26 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)acetate is sourced from PubChem (CID 71182490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).