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

C9H14O4 — CID 23190413

IUPACmethyl 2-(3,4-dihydro-2H-pyran-2-yl)-2-methoxyacetate
SMILESCOC(=O)C(OC)C1CCC=CO1
InChIInChI=1S/C9H14O4/c1-11-8(9(10)12-2)7-5-3-4-6-13-7/h4,6-8H,3,5H2,1-2H3
InChIKeyFLGOTJSAKFHTGV-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.87
Rot. Bonds3

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

methyl 2-(3,4-dihydro-2H-pyran-2-yl)-2-methoxyacetate (PubChem CID 23190413) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is methyl 2-(3,4-dihydro-2H-pyran-2-yl)-2-methoxyacetate.

Molecular Properties

Compound Namemethyl 2-(3,4-dihydro-2H-pyran-2-yl)-2-methoxyacetate
PubChem CID23190413
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Namemethyl 2-(3,4-dihydro-2H-pyran-2-yl)-2-methoxyacetate
SMILESCOC(=O)C(OC)C1CCC=CO1
InChIInChI=1S/C9H14O4/c1-11-8(9(10)12-2)7-5-3-4-6-13-7/h4,6-8H,3,5H2,1-2H3
InChIKeyFLGOTJSAKFHTGV-UHFFFAOYSA-N
XLogP0.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-dihydro-2H-pyran-2-yl)-2-methoxyacetate?
The IUPAC name of methyl 2-(3,4-dihydro-2H-pyran-2-yl)-2-methoxyacetate (CID 23190413) is methyl 2-(3,4-dihydro-2H-pyran-2-yl)-2-methoxyacetate.
What is the SMILES notation for methyl 2-(3,4-dihydro-2H-pyran-2-yl)-2-methoxyacetate?
The canonical SMILES for methyl 2-(3,4-dihydro-2H-pyran-2-yl)-2-methoxyacetate is COC(=O)C(OC)C1CCC=CO1.
What is the InChIKey of methyl 2-(3,4-dihydro-2H-pyran-2-yl)-2-methoxyacetate?
The InChIKey is FLGOTJSAKFHTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-11-8(9(10)12-2)7-5-3-4-6-13-7/h4,6-8H,3,5H2,1-2H3.
What are the key properties of methyl 2-(3,4-dihydro-2H-pyran-2-yl)-2-methoxyacetate?
methyl 2-(3,4-dihydro-2H-pyran-2-yl)-2-methoxyacetate has a molecular weight of 186.21 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4-dihydro-2H-pyran-2-yl)-2-methoxyacetate is sourced from PubChem (CID 23190413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).