2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyl-1,3-dioxane

C11H20O4 — CID 154542581

IUPAC2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyl-1,3-dioxane
SMILESCC1(C)OCC(CC2(C)OCCCO2)O1
InChIInChI=1S/C11H20O4/c1-10(2)14-8-9(15-10)7-11(3)12-5-4-6-13-11/h9H,4-8H2,1-3H3
InChIKeyHDBHGFFEVTWVFO-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.68
Rot. Bonds2

About 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyl-1,3-dioxane

2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyl-1,3-dioxane (PubChem CID 154542581) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyl-1,3-dioxane.

Molecular Properties

Compound Name2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyl-1,3-dioxane
PubChem CID154542581
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyl-1,3-dioxane
SMILESCC1(C)OCC(CC2(C)OCCCO2)O1
InChIInChI=1S/C11H20O4/c1-10(2)14-8-9(15-10)7-11(3)12-5-4-6-13-11/h9H,4-8H2,1-3H3
InChIKeyHDBHGFFEVTWVFO-UHFFFAOYSA-N
XLogP1.68
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyl-1,3-dioxane?
The IUPAC name of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyl-1,3-dioxane (CID 154542581) is 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyl-1,3-dioxane.
What is the SMILES notation for 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyl-1,3-dioxane?
The canonical SMILES for 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyl-1,3-dioxane is CC1(C)OCC(CC2(C)OCCCO2)O1.
What is the InChIKey of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyl-1,3-dioxane?
The InChIKey is HDBHGFFEVTWVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-10(2)14-8-9(15-10)7-11(3)12-5-4-6-13-11/h9H,4-8H2,1-3H3.
What are the key properties of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyl-1,3-dioxane?
2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyl-1,3-dioxane has a molecular weight of 216.28 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyl-1,3-dioxane is sourced from PubChem (CID 154542581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).