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

C11H20O4 — CID 58862633

IUPAC4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OCC(CC2COC(C)(C)O2)O1
InChIInChI=1S/C11H20O4/c1-10(2)12-6-8(14-10)5-9-7-13-11(3,4)15-9/h8-9H,5-7H2,1-4H3
InChIKeyDHQVFPUERJHKMR-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.68
Rot. Bonds2

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

4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 58862633) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID58862633
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OCC(CC2COC(C)(C)O2)O1
InChIInChI=1S/C11H20O4/c1-10(2)12-6-8(14-10)5-9-7-13-11(3,4)15-9/h8-9H,5-7H2,1-4H3
InChIKeyDHQVFPUERJHKMR-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 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane (CID 58862633) is 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane is CC1(C)OCC(CC2COC(C)(C)O2)O1.
What is the InChIKey of 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is DHQVFPUERJHKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-10(2)12-6-8(14-10)5-9-7-13-11(3,4)15-9/h8-9H,5-7H2,1-4H3.
What are the key properties of 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane?
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane 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 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 58862633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).