ethyl 3-acetyloxy-3,6-dihydro-2H-pyran-2-carboxylate

C10H14O5 — CID 68840205

IUPACethyl 3-acetyloxy-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCCOC(=O)C1OCC=CC1OC(C)=O
InChIInChI=1S/C10H14O5/c1-3-13-10(12)9-8(15-7(2)11)5-4-6-14-9/h4-5,8-9H,3,6H2,1-2H3
InChIKeyUCRSKWLCRQVKIT-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.44
Rot. Bonds3

About ethyl 3-acetyloxy-3,6-dihydro-2H-pyran-2-carboxylate

ethyl 3-acetyloxy-3,6-dihydro-2H-pyran-2-carboxylate (PubChem CID 68840205) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is ethyl 3-acetyloxy-3,6-dihydro-2H-pyran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-acetyloxy-3,6-dihydro-2H-pyran-2-carboxylate
PubChem CID68840205
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Nameethyl 3-acetyloxy-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCCOC(=O)C1OCC=CC1OC(C)=O
InChIInChI=1S/C10H14O5/c1-3-13-10(12)9-8(15-7(2)11)5-4-6-14-9/h4-5,8-9H,3,6H2,1-2H3
InChIKeyUCRSKWLCRQVKIT-UHFFFAOYSA-N
XLogP0.44
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 ethyl 3-acetyloxy-3,6-dihydro-2H-pyran-2-carboxylate?
The IUPAC name of ethyl 3-acetyloxy-3,6-dihydro-2H-pyran-2-carboxylate (CID 68840205) is ethyl 3-acetyloxy-3,6-dihydro-2H-pyran-2-carboxylate.
What is the SMILES notation for ethyl 3-acetyloxy-3,6-dihydro-2H-pyran-2-carboxylate?
The canonical SMILES for ethyl 3-acetyloxy-3,6-dihydro-2H-pyran-2-carboxylate is CCOC(=O)C1OCC=CC1OC(C)=O.
What is the InChIKey of ethyl 3-acetyloxy-3,6-dihydro-2H-pyran-2-carboxylate?
The InChIKey is UCRSKWLCRQVKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-3-13-10(12)9-8(15-7(2)11)5-4-6-14-9/h4-5,8-9H,3,6H2,1-2H3.
What are the key properties of ethyl 3-acetyloxy-3,6-dihydro-2H-pyran-2-carboxylate?
ethyl 3-acetyloxy-3,6-dihydro-2H-pyran-2-carboxylate has a molecular weight of 214.22 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-acetyloxy-3,6-dihydro-2H-pyran-2-carboxylate is sourced from PubChem (CID 68840205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).