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

C15H26O6 — CID 155932262

IUPACdimethyl (4R,5R)-2,2-dimethyl-4,5-dipropyl-1,3-dioxolane-4,5-dicarboxylate
SMILESCCC[C@@]1(C(=O)OC)OC(C)(C)O[C@@]1(CCC)C(=O)OC
InChIInChI=1S/C15H26O6/c1-7-9-14(11(16)18-5)15(10-8-2,12(17)19-6)21-13(3,4)20-14/h7-10H2,1-6H3/t14-,15-/m0/s1
InChIKeyRZZWGWLYXRAIEK-GJZGRUSLSA-N
MW302.37 g/mol
LogP2.19
Rot. Bonds6

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

dimethyl (4R,5R)-2,2-dimethyl-4,5-dipropyl-1,3-dioxolane-4,5-dicarboxylate (PubChem CID 155932262) has the molecular formula C15H26O6 and a molecular weight of 302.37 g/mol. Its IUPAC name is dimethyl (4R,5R)-2,2-dimethyl-4,5-dipropyl-1,3-dioxolane-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl (4R,5R)-2,2-dimethyl-4,5-dipropyl-1,3-dioxolane-4,5-dicarboxylate
PubChem CID155932262
Molecular FormulaC15H26O6
Molecular Weight302.37 g/mol
Exact Mass302.17
IUPAC Namedimethyl (4R,5R)-2,2-dimethyl-4,5-dipropyl-1,3-dioxolane-4,5-dicarboxylate
SMILESCCC[C@@]1(C(=O)OC)OC(C)(C)O[C@@]1(CCC)C(=O)OC
InChIInChI=1S/C15H26O6/c1-7-9-14(11(16)18-5)15(10-8-2,12(17)19-6)21-13(3,4)20-14/h7-10H2,1-6H3/t14-,15-/m0/s1
InChIKeyRZZWGWLYXRAIEK-GJZGRUSLSA-N
XLogP2.19
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.19
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-4,5-dipropyl-1,3-dioxolane-4,5-dicarboxylate?
The IUPAC name of dimethyl (4R,5R)-2,2-dimethyl-4,5-dipropyl-1,3-dioxolane-4,5-dicarboxylate (CID 155932262) is dimethyl (4R,5R)-2,2-dimethyl-4,5-dipropyl-1,3-dioxolane-4,5-dicarboxylate.
What is the SMILES notation for dimethyl (4R,5R)-2,2-dimethyl-4,5-dipropyl-1,3-dioxolane-4,5-dicarboxylate?
The canonical SMILES for dimethyl (4R,5R)-2,2-dimethyl-4,5-dipropyl-1,3-dioxolane-4,5-dicarboxylate is CCC[C@@]1(C(=O)OC)OC(C)(C)O[C@@]1(CCC)C(=O)OC.
What is the InChIKey of dimethyl (4R,5R)-2,2-dimethyl-4,5-dipropyl-1,3-dioxolane-4,5-dicarboxylate?
The InChIKey is RZZWGWLYXRAIEK-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H26O6/c1-7-9-14(11(16)18-5)15(10-8-2,12(17)19-6)21-13(3,4)20-14/h7-10H2,1-6H3/t14-,15-/m0/s1.
What are the key properties of dimethyl (4R,5R)-2,2-dimethyl-4,5-dipropyl-1,3-dioxolane-4,5-dicarboxylate?
dimethyl (4R,5R)-2,2-dimethyl-4,5-dipropyl-1,3-dioxolane-4,5-dicarboxylate has a molecular weight of 302.37 g/mol, XLogP of 2.19, 6 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-4,5-dipropyl-1,3-dioxolane-4,5-dicarboxylate is sourced from PubChem (CID 155932262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).