diethyl 2-[[(2S)-2,3-dihydrofuran-2-yl]methoxy]propanedioate

C12H18O6 — CID 134336028

IUPACdiethyl 2-[[(2S)-2,3-dihydrofuran-2-yl]methoxy]propanedioate
SMILESCCOC(=O)C(OC[C@@H]1CC=CO1)C(=O)OCC
InChIInChI=1S/C12H18O6/c1-3-15-11(13)10(12(14)16-4-2)18-8-9-6-5-7-17-9/h5,7,9-10H,3-4,6,8H2,1-2H3/t9-/m0/s1
InChIKeyLLMLZLRXTYBEPN-VIFPVBQESA-N
MW258.27 g/mol
LogP0.80
Rot. Bonds7

About diethyl 2-[[(2S)-2,3-dihydrofuran-2-yl]methoxy]propanedioate

diethyl 2-[[(2S)-2,3-dihydrofuran-2-yl]methoxy]propanedioate (PubChem CID 134336028) has the molecular formula C12H18O6 and a molecular weight of 258.27 g/mol. Its IUPAC name is diethyl 2-[[(2S)-2,3-dihydrofuran-2-yl]methoxy]propanedioate.

Molecular Properties

Compound Namediethyl 2-[[(2S)-2,3-dihydrofuran-2-yl]methoxy]propanedioate
PubChem CID134336028
Molecular FormulaC12H18O6
Molecular Weight258.27 g/mol
Exact Mass258.11
IUPAC Namediethyl 2-[[(2S)-2,3-dihydrofuran-2-yl]methoxy]propanedioate
SMILESCCOC(=O)C(OC[C@@H]1CC=CO1)C(=O)OCC
InChIInChI=1S/C12H18O6/c1-3-15-11(13)10(12(14)16-4-2)18-8-9-6-5-7-17-9/h5,7,9-10H,3-4,6,8H2,1-2H3/t9-/m0/s1
InChIKeyLLMLZLRXTYBEPN-VIFPVBQESA-N
XLogP0.80
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-[[(2S)-2,3-dihydrofuran-2-yl]methoxy]propanedioate?
The IUPAC name of diethyl 2-[[(2S)-2,3-dihydrofuran-2-yl]methoxy]propanedioate (CID 134336028) is diethyl 2-[[(2S)-2,3-dihydrofuran-2-yl]methoxy]propanedioate.
What is the SMILES notation for diethyl 2-[[(2S)-2,3-dihydrofuran-2-yl]methoxy]propanedioate?
The canonical SMILES for diethyl 2-[[(2S)-2,3-dihydrofuran-2-yl]methoxy]propanedioate is CCOC(=O)C(OC[C@@H]1CC=CO1)C(=O)OCC.
What is the InChIKey of diethyl 2-[[(2S)-2,3-dihydrofuran-2-yl]methoxy]propanedioate?
The InChIKey is LLMLZLRXTYBEPN-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18O6/c1-3-15-11(13)10(12(14)16-4-2)18-8-9-6-5-7-17-9/h5,7,9-10H,3-4,6,8H2,1-2H3/t9-/m0/s1.
What are the key properties of diethyl 2-[[(2S)-2,3-dihydrofuran-2-yl]methoxy]propanedioate?
diethyl 2-[[(2S)-2,3-dihydrofuran-2-yl]methoxy]propanedioate has a molecular weight of 258.27 g/mol, XLogP of 0.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[[(2S)-2,3-dihydrofuran-2-yl]methoxy]propanedioate is sourced from PubChem (CID 134336028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).