methyl 2-[(2R,5R)-5-ethyl-2,5-dihydrofuran-2-yl]acetate

C9H14O3 — CID 10773471

IUPACmethyl 2-[(2R,5R)-5-ethyl-2,5-dihydrofuran-2-yl]acetate
SMILESCC[C@@H]1C=C[C@@H](CC(=O)OC)O1
InChIInChI=1S/C9H14O3/c1-3-7-4-5-8(12-7)6-9(10)11-2/h4-5,7-8H,3,6H2,1-2H3/t7-,8+/m1/s1
InChIKeyMWWGAQOJVVTZMP-SFYZADRCSA-N
MW170.21 g/mol
LogP1.28
Rot. Bonds3

About methyl 2-[(2R,5R)-5-ethyl-2,5-dihydrofuran-2-yl]acetate

methyl 2-[(2R,5R)-5-ethyl-2,5-dihydrofuran-2-yl]acetate (PubChem CID 10773471) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is methyl 2-[(2R,5R)-5-ethyl-2,5-dihydrofuran-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,5R)-5-ethyl-2,5-dihydrofuran-2-yl]acetate
PubChem CID10773471
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Namemethyl 2-[(2R,5R)-5-ethyl-2,5-dihydrofuran-2-yl]acetate
SMILESCC[C@@H]1C=C[C@@H](CC(=O)OC)O1
InChIInChI=1S/C9H14O3/c1-3-7-4-5-8(12-7)6-9(10)11-2/h4-5,7-8H,3,6H2,1-2H3/t7-,8+/m1/s1
InChIKeyMWWGAQOJVVTZMP-SFYZADRCSA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,5R)-5-ethyl-2,5-dihydrofuran-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,5R)-5-ethyl-2,5-dihydrofuran-2-yl]acetate (CID 10773471) is methyl 2-[(2R,5R)-5-ethyl-2,5-dihydrofuran-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,5R)-5-ethyl-2,5-dihydrofuran-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,5R)-5-ethyl-2,5-dihydrofuran-2-yl]acetate is CC[C@@H]1C=C[C@@H](CC(=O)OC)O1.
What is the InChIKey of methyl 2-[(2R,5R)-5-ethyl-2,5-dihydrofuran-2-yl]acetate?
The InChIKey is MWWGAQOJVVTZMP-SFYZADRCSA-N. The full InChI is InChI=1S/C9H14O3/c1-3-7-4-5-8(12-7)6-9(10)11-2/h4-5,7-8H,3,6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of methyl 2-[(2R,5R)-5-ethyl-2,5-dihydrofuran-2-yl]acetate?
methyl 2-[(2R,5R)-5-ethyl-2,5-dihydrofuran-2-yl]acetate has a molecular weight of 170.21 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,5R)-5-ethyl-2,5-dihydrofuran-2-yl]acetate is sourced from PubChem (CID 10773471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).