diethyl (2R,3R)-2,3-bis(1,1-dimethoxyethoxy)butanedioate

C16H30O10 — CID 25110848

IUPACdiethyl (2R,3R)-2,3-bis(1,1-dimethoxyethoxy)butanedioate
SMILESCCOC(=O)[C@H](OC(C)(OC)OC)[C@@H](OC(C)(OC)OC)C(=O)OCC
InChIInChI=1S/C16H30O10/c1-9-23-13(17)11(25-15(3,19-5)20-6)12(14(18)24-10-2)26-16(4,21-7)22-8/h11-12H,9-10H2,1-8H3/t11-,12-/m1/s1
InChIKeyLLLYKXPAZQILNA-VXGBXAGGSA-N
MW382.41 g/mol
LogP0.82
Rot. Bonds13

About diethyl (2R,3R)-2,3-bis(1,1-dimethoxyethoxy)butanedioate

diethyl (2R,3R)-2,3-bis(1,1-dimethoxyethoxy)butanedioate (PubChem CID 25110848) has the molecular formula C16H30O10 and a molecular weight of 382.41 g/mol. Its IUPAC name is diethyl (2R,3R)-2,3-bis(1,1-dimethoxyethoxy)butanedioate.

Molecular Properties

Compound Namediethyl (2R,3R)-2,3-bis(1,1-dimethoxyethoxy)butanedioate
PubChem CID25110848
Molecular FormulaC16H30O10
Molecular Weight382.41 g/mol
Exact Mass382.18
IUPAC Namediethyl (2R,3R)-2,3-bis(1,1-dimethoxyethoxy)butanedioate
SMILESCCOC(=O)[C@H](OC(C)(OC)OC)[C@@H](OC(C)(OC)OC)C(=O)OCC
InChIInChI=1S/C16H30O10/c1-9-23-13(17)11(25-15(3,19-5)20-6)12(14(18)24-10-2)26-16(4,21-7)22-8/h11-12H,9-10H2,1-8H3/t11-,12-/m1/s1
InChIKeyLLLYKXPAZQILNA-VXGBXAGGSA-N
XLogP0.82
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl (2R,3R)-2,3-bis(1,1-dimethoxyethoxy)butanedioate?
The IUPAC name of diethyl (2R,3R)-2,3-bis(1,1-dimethoxyethoxy)butanedioate (CID 25110848) is diethyl (2R,3R)-2,3-bis(1,1-dimethoxyethoxy)butanedioate.
What is the SMILES notation for diethyl (2R,3R)-2,3-bis(1,1-dimethoxyethoxy)butanedioate?
The canonical SMILES for diethyl (2R,3R)-2,3-bis(1,1-dimethoxyethoxy)butanedioate is CCOC(=O)[C@H](OC(C)(OC)OC)[C@@H](OC(C)(OC)OC)C(=O)OCC.
What is the InChIKey of diethyl (2R,3R)-2,3-bis(1,1-dimethoxyethoxy)butanedioate?
The InChIKey is LLLYKXPAZQILNA-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H30O10/c1-9-23-13(17)11(25-15(3,19-5)20-6)12(14(18)24-10-2)26-16(4,21-7)22-8/h11-12H,9-10H2,1-8H3/t11-,12-/m1/s1.
What are the key properties of diethyl (2R,3R)-2,3-bis(1,1-dimethoxyethoxy)butanedioate?
diethyl (2R,3R)-2,3-bis(1,1-dimethoxyethoxy)butanedioate has a molecular weight of 382.41 g/mol, XLogP of 0.82, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2R,3R)-2,3-bis(1,1-dimethoxyethoxy)butanedioate is sourced from PubChem (CID 25110848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).