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

C12H20O6 — CID 11265430

IUPAC(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate
SMILESCC1(C)OCC(COC(=O)C2COC(C)(C)O2)O1
InChIInChI=1S/C12H20O6/c1-11(2)15-6-8(17-11)5-14-10(13)9-7-16-12(3,4)18-9/h8-9H,5-7H2,1-4H3
InChIKeyGVKVORYHJGJXQF-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.83
Rot. Bonds3

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

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate (PubChem CID 11265430) has the molecular formula C12H20O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate
PubChem CID11265430
Molecular FormulaC12H20O6
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate
SMILESCC1(C)OCC(COC(=O)C2COC(C)(C)O2)O1
InChIInChI=1S/C12H20O6/c1-11(2)15-6-8(17-11)5-14-10(13)9-7-16-12(3,4)18-9/h8-9H,5-7H2,1-4H3
InChIKeyGVKVORYHJGJXQF-UHFFFAOYSA-N
XLogP0.83
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate (CID 11265430) is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The canonical SMILES for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate is CC1(C)OCC(COC(=O)C2COC(C)(C)O2)O1.
What is the InChIKey of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The InChIKey is GVKVORYHJGJXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O6/c1-11(2)15-6-8(17-11)5-14-10(13)9-7-16-12(3,4)18-9/h8-9H,5-7H2,1-4H3.
What are the key properties of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate?
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 11265430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).