2',2',6'-trimethylspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one

C11H16O6 — CID 20704272

IUPAC2',2',6'-trimethylspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one
SMILESCC1C2OC(C)(C)OC2OC12COC(=O)OC2
InChIInChI=1S/C11H16O6/c1-6-7-8(16-10(2,3)15-7)17-11(6)4-13-9(12)14-5-11/h6-8H,4-5H2,1-3H3
InChIKeyXGOFEFSMHATCMF-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.04
Rot. Bonds

About 2',2',6'-trimethylspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one

2',2',6'-trimethylspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one (PubChem CID 20704272) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2',2',6'-trimethylspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one.

Molecular Properties

Compound Name2',2',6'-trimethylspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one
PubChem CID20704272
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name2',2',6'-trimethylspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one
SMILESCC1C2OC(C)(C)OC2OC12COC(=O)OC2
InChIInChI=1S/C11H16O6/c1-6-7-8(16-10(2,3)15-7)17-11(6)4-13-9(12)14-5-11/h6-8H,4-5H2,1-3H3
InChIKeyXGOFEFSMHATCMF-UHFFFAOYSA-N
XLogP1.04
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2',2',6'-trimethylspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one?
The IUPAC name of 2',2',6'-trimethylspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one (CID 20704272) is 2',2',6'-trimethylspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one.
What is the SMILES notation for 2',2',6'-trimethylspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one?
The canonical SMILES for 2',2',6'-trimethylspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one is CC1C2OC(C)(C)OC2OC12COC(=O)OC2.
What is the InChIKey of 2',2',6'-trimethylspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one?
The InChIKey is XGOFEFSMHATCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O6/c1-6-7-8(16-10(2,3)15-7)17-11(6)4-13-9(12)14-5-11/h6-8H,4-5H2,1-3H3.
What are the key properties of 2',2',6'-trimethylspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one?
2',2',6'-trimethylspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one has a molecular weight of 244.24 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2',2',6'-trimethylspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one is sourced from PubChem (CID 20704272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).