ethyl (2R)-2-formyl-2,3-dihydrofuran-5-carboxylate

C8H10O4 — CID 163746906

IUPACethyl (2R)-2-formyl-2,3-dihydrofuran-5-carboxylate
SMILESCCOC(=O)C1=CC[C@H](C=O)O1
InChIInChI=1S/C8H10O4/c1-2-11-8(10)7-4-3-6(5-9)12-7/h4-6H,2-3H2,1H3/t6-/m1/s1
InChIKeyLMQPRPGLQKNXLZ-ZCFIWIBFSA-N
MW170.16 g/mol
LogP0.42
Rot. Bonds3

About ethyl (2R)-2-formyl-2,3-dihydrofuran-5-carboxylate

ethyl (2R)-2-formyl-2,3-dihydrofuran-5-carboxylate (PubChem CID 163746906) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is ethyl (2R)-2-formyl-2,3-dihydrofuran-5-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-2-formyl-2,3-dihydrofuran-5-carboxylate
PubChem CID163746906
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Nameethyl (2R)-2-formyl-2,3-dihydrofuran-5-carboxylate
SMILESCCOC(=O)C1=CC[C@H](C=O)O1
InChIInChI=1S/C8H10O4/c1-2-11-8(10)7-4-3-6(5-9)12-7/h4-6H,2-3H2,1H3/t6-/m1/s1
InChIKeyLMQPRPGLQKNXLZ-ZCFIWIBFSA-N
XLogP0.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-formyl-2,3-dihydrofuran-5-carboxylate?
The IUPAC name of ethyl (2R)-2-formyl-2,3-dihydrofuran-5-carboxylate (CID 163746906) is ethyl (2R)-2-formyl-2,3-dihydrofuran-5-carboxylate.
What is the SMILES notation for ethyl (2R)-2-formyl-2,3-dihydrofuran-5-carboxylate?
The canonical SMILES for ethyl (2R)-2-formyl-2,3-dihydrofuran-5-carboxylate is CCOC(=O)C1=CC[C@H](C=O)O1.
What is the InChIKey of ethyl (2R)-2-formyl-2,3-dihydrofuran-5-carboxylate?
The InChIKey is LMQPRPGLQKNXLZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H10O4/c1-2-11-8(10)7-4-3-6(5-9)12-7/h4-6H,2-3H2,1H3/t6-/m1/s1.
What are the key properties of ethyl (2R)-2-formyl-2,3-dihydrofuran-5-carboxylate?
ethyl (2R)-2-formyl-2,3-dihydrofuran-5-carboxylate has a molecular weight of 170.16 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-formyl-2,3-dihydrofuran-5-carboxylate is sourced from PubChem (CID 163746906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).