ethyl 2-(3,4-dihydro-2H-pyran-2-yl)-2-methoxyacetate

C10H16O4 — CID 23190412

IUPACethyl 2-(3,4-dihydro-2H-pyran-2-yl)-2-methoxyacetate
SMILESCCOC(=O)C(OC)C1CCC=CO1
InChIInChI=1S/C10H16O4/c1-3-13-10(11)9(12-2)8-6-4-5-7-14-8/h5,7-9H,3-4,6H2,1-2H3
InChIKeyBGNSVRVOXIRDGZ-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.26
Rot. Bonds4

About ethyl 2-(3,4-dihydro-2H-pyran-2-yl)-2-methoxyacetate

ethyl 2-(3,4-dihydro-2H-pyran-2-yl)-2-methoxyacetate (PubChem CID 23190412) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is ethyl 2-(3,4-dihydro-2H-pyran-2-yl)-2-methoxyacetate.

Molecular Properties

Compound Nameethyl 2-(3,4-dihydro-2H-pyran-2-yl)-2-methoxyacetate
PubChem CID23190412
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameethyl 2-(3,4-dihydro-2H-pyran-2-yl)-2-methoxyacetate
SMILESCCOC(=O)C(OC)C1CCC=CO1
InChIInChI=1S/C10H16O4/c1-3-13-10(11)9(12-2)8-6-4-5-7-14-8/h5,7-9H,3-4,6H2,1-2H3
InChIKeyBGNSVRVOXIRDGZ-UHFFFAOYSA-N
XLogP1.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(3,4-dihydro-2H-pyran-2-yl)-2-methoxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4-dihydro-2H-pyran-2-yl)-2-methoxyacetate?
The IUPAC name of ethyl 2-(3,4-dihydro-2H-pyran-2-yl)-2-methoxyacetate (CID 23190412) is ethyl 2-(3,4-dihydro-2H-pyran-2-yl)-2-methoxyacetate.
What is the SMILES notation for ethyl 2-(3,4-dihydro-2H-pyran-2-yl)-2-methoxyacetate?
The canonical SMILES for ethyl 2-(3,4-dihydro-2H-pyran-2-yl)-2-methoxyacetate is CCOC(=O)C(OC)C1CCC=CO1.
What is the InChIKey of ethyl 2-(3,4-dihydro-2H-pyran-2-yl)-2-methoxyacetate?
The InChIKey is BGNSVRVOXIRDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-13-10(11)9(12-2)8-6-4-5-7-14-8/h5,7-9H,3-4,6H2,1-2H3.
What are the key properties of ethyl 2-(3,4-dihydro-2H-pyran-2-yl)-2-methoxyacetate?
ethyl 2-(3,4-dihydro-2H-pyran-2-yl)-2-methoxyacetate has a molecular weight of 200.23 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4-dihydro-2H-pyran-2-yl)-2-methoxyacetate is sourced from PubChem (CID 23190412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).