dimethyl (4R,5R)-2,2-dimethyl-4-propyl-1,3-dioxolane-4,5-dicarboxylate

C12H20O6 — CID 155932141

IUPACdimethyl (4R,5R)-2,2-dimethyl-4-propyl-1,3-dioxolane-4,5-dicarboxylate
SMILESCCC[C@@]1(C(=O)OC)OC(C)(C)O[C@H]1C(=O)OC
InChIInChI=1S/C12H20O6/c1-6-7-12(10(14)16-5)8(9(13)15-4)17-11(2,3)18-12/h8H,6-7H2,1-5H3/t8-,12+/m0/s1
InChIKeyHDBGAXLJRHYYRU-QPUJVOFHSA-N
MW260.29 g/mol
LogP1.02
Rot. Bonds4

About dimethyl (4R,5R)-2,2-dimethyl-4-propyl-1,3-dioxolane-4,5-dicarboxylate

dimethyl (4R,5R)-2,2-dimethyl-4-propyl-1,3-dioxolane-4,5-dicarboxylate (PubChem CID 155932141) has the molecular formula C12H20O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is dimethyl (4R,5R)-2,2-dimethyl-4-propyl-1,3-dioxolane-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl (4R,5R)-2,2-dimethyl-4-propyl-1,3-dioxolane-4,5-dicarboxylate
PubChem CID155932141
Molecular FormulaC12H20O6
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Namedimethyl (4R,5R)-2,2-dimethyl-4-propyl-1,3-dioxolane-4,5-dicarboxylate
SMILESCCC[C@@]1(C(=O)OC)OC(C)(C)O[C@H]1C(=O)OC
InChIInChI=1S/C12H20O6/c1-6-7-12(10(14)16-5)8(9(13)15-4)17-11(2,3)18-12/h8H,6-7H2,1-5H3/t8-,12+/m0/s1
InChIKeyHDBGAXLJRHYYRU-QPUJVOFHSA-N
XLogP1.02
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl (4R,5R)-2,2-dimethyl-4-propyl-1,3-dioxolane-4,5-dicarboxylate?
The IUPAC name of dimethyl (4R,5R)-2,2-dimethyl-4-propyl-1,3-dioxolane-4,5-dicarboxylate (CID 155932141) is dimethyl (4R,5R)-2,2-dimethyl-4-propyl-1,3-dioxolane-4,5-dicarboxylate.
What is the SMILES notation for dimethyl (4R,5R)-2,2-dimethyl-4-propyl-1,3-dioxolane-4,5-dicarboxylate?
The canonical SMILES for dimethyl (4R,5R)-2,2-dimethyl-4-propyl-1,3-dioxolane-4,5-dicarboxylate is CCC[C@@]1(C(=O)OC)OC(C)(C)O[C@H]1C(=O)OC.
What is the InChIKey of dimethyl (4R,5R)-2,2-dimethyl-4-propyl-1,3-dioxolane-4,5-dicarboxylate?
The InChIKey is HDBGAXLJRHYYRU-QPUJVOFHSA-N. The full InChI is InChI=1S/C12H20O6/c1-6-7-12(10(14)16-5)8(9(13)15-4)17-11(2,3)18-12/h8H,6-7H2,1-5H3/t8-,12+/m0/s1.
What are the key properties of dimethyl (4R,5R)-2,2-dimethyl-4-propyl-1,3-dioxolane-4,5-dicarboxylate?
dimethyl (4R,5R)-2,2-dimethyl-4-propyl-1,3-dioxolane-4,5-dicarboxylate has a molecular weight of 260.29 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (4R,5R)-2,2-dimethyl-4-propyl-1,3-dioxolane-4,5-dicarboxylate is sourced from PubChem (CID 155932141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).