dimethyl (2R)-2-[(1S)-1-ethoxyethoxy]butanedioate

C10H18O6 — CID 129407052

IUPACdimethyl (2R)-2-[(1S)-1-ethoxyethoxy]butanedioate
SMILESCCO[C@H](C)O[C@H](CC(=O)OC)C(=O)OC
InChIInChI=1S/C10H18O6/c1-5-15-7(2)16-8(10(12)14-4)6-9(11)13-3/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKeyLPJKRDYMAKKKJI-JGVFFNPUSA-N
MW234.25 g/mol
LogP0.49
Rot. Bonds7

About dimethyl (2R)-2-[(1S)-1-ethoxyethoxy]butanedioate

dimethyl (2R)-2-[(1S)-1-ethoxyethoxy]butanedioate (PubChem CID 129407052) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is dimethyl (2R)-2-[(1S)-1-ethoxyethoxy]butanedioate.

Molecular Properties

Compound Namedimethyl (2R)-2-[(1S)-1-ethoxyethoxy]butanedioate
PubChem CID129407052
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Namedimethyl (2R)-2-[(1S)-1-ethoxyethoxy]butanedioate
SMILESCCO[C@H](C)O[C@H](CC(=O)OC)C(=O)OC
InChIInChI=1S/C10H18O6/c1-5-15-7(2)16-8(10(12)14-4)6-9(11)13-3/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKeyLPJKRDYMAKKKJI-JGVFFNPUSA-N
XLogP0.49
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 dimethyl (2R)-2-[(1S)-1-ethoxyethoxy]butanedioate?
The IUPAC name of dimethyl (2R)-2-[(1S)-1-ethoxyethoxy]butanedioate (CID 129407052) is dimethyl (2R)-2-[(1S)-1-ethoxyethoxy]butanedioate.
What is the SMILES notation for dimethyl (2R)-2-[(1S)-1-ethoxyethoxy]butanedioate?
The canonical SMILES for dimethyl (2R)-2-[(1S)-1-ethoxyethoxy]butanedioate is CCO[C@H](C)O[C@H](CC(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl (2R)-2-[(1S)-1-ethoxyethoxy]butanedioate?
The InChIKey is LPJKRDYMAKKKJI-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H18O6/c1-5-15-7(2)16-8(10(12)14-4)6-9(11)13-3/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1.
What are the key properties of dimethyl (2R)-2-[(1S)-1-ethoxyethoxy]butanedioate?
dimethyl (2R)-2-[(1S)-1-ethoxyethoxy]butanedioate has a molecular weight of 234.25 g/mol, XLogP of 0.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R)-2-[(1S)-1-ethoxyethoxy]butanedioate is sourced from PubChem (CID 129407052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).