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

C13H22O6 — CID 6712406

IUPACdipropan-2-yl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
SMILESCC(C)OC(=O)[C@@H]1OC(C)(C)O[C@H]1C(=O)OC(C)C
InChIInChI=1S/C13H22O6/c1-7(2)16-11(14)9-10(12(15)17-8(3)4)19-13(5,6)18-9/h7-10H,1-6H3/t9-,10-/m1/s1
InChIKeyDSGKZMJPCBCYID-NXEZZACHSA-N
MW274.31 g/mol
LogP1.41
Rot. Bonds4

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

dipropan-2-yl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate (PubChem CID 6712406) has the molecular formula C13H22O6 and a molecular weight of 274.31 g/mol. Its IUPAC name is dipropan-2-yl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
PubChem CID6712406
Molecular FormulaC13H22O6
Molecular Weight274.31 g/mol
Exact Mass274.14
IUPAC Namedipropan-2-yl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
SMILESCC(C)OC(=O)[C@@H]1OC(C)(C)O[C@H]1C(=O)OC(C)C
InChIInChI=1S/C13H22O6/c1-7(2)16-11(14)9-10(12(15)17-8(3)4)19-13(5,6)18-9/h7-10H,1-6H3/t9-,10-/m1/s1
InChIKeyDSGKZMJPCBCYID-NXEZZACHSA-N
XLogP1.41
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze dipropan-2-yl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate?
The IUPAC name of dipropan-2-yl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate (CID 6712406) is dipropan-2-yl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate.
What is the SMILES notation for dipropan-2-yl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate?
The canonical SMILES for dipropan-2-yl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate is CC(C)OC(=O)[C@@H]1OC(C)(C)O[C@H]1C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate?
The InChIKey is DSGKZMJPCBCYID-NXEZZACHSA-N. The full InChI is InChI=1S/C13H22O6/c1-7(2)16-11(14)9-10(12(15)17-8(3)4)19-13(5,6)18-9/h7-10H,1-6H3/t9-,10-/m1/s1.
What are the key properties of dipropan-2-yl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate?
dipropan-2-yl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate has a molecular weight of 274.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate is sourced from PubChem (CID 6712406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).