ethyl 2H-pyran-5-carboxylate

C8H10O3 — CID 56632692

IUPACethyl 2H-pyran-5-carboxylate
SMILESCCOC(=O)C1=COCC=C1
InChIInChI=1S/C8H10O3/c1-2-11-8(9)7-4-3-5-10-6-7/h3-4,6H,2,5H2,1H3
InChIKeyPJHIQNPFEHZYCG-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.02
Rot. Bonds2

About ethyl 2H-pyran-5-carboxylate

ethyl 2H-pyran-5-carboxylate (PubChem CID 56632692) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is ethyl 2H-pyran-5-carboxylate.

Molecular Properties

Compound Nameethyl 2H-pyran-5-carboxylate
PubChem CID56632692
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Nameethyl 2H-pyran-5-carboxylate
SMILESCCOC(=O)C1=COCC=C1
InChIInChI=1S/C8H10O3/c1-2-11-8(9)7-4-3-5-10-6-7/h3-4,6H,2,5H2,1H3
InChIKeyPJHIQNPFEHZYCG-UHFFFAOYSA-N
XLogP1.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2H-pyran-5-carboxamide
CID 56621790
diethyl cyclohexa-1,4-diene-1,2-dicarboxylate
CID 13042860
ethyl 3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carboxylate
CID 173206927
ethyl 2H-chromene-8-carboxylate
CID 140970389
ethyl cyclopenta-1,3-diene-1-carboxylate
CID 175029931
ethyl 4-iminocyclohexa-1,5-diene-1-carboxylate
CID 142650575
ethyl (5R)-4-amino-5-methyl-2,5-dihydrofuran-3-carboxylate
CID 86336109
ethyl 2,6-dimethylbenzoate
CID 520807
diethyl 2,7-dimethyl-1,6-dioxaspiro[4.4]nona-2,7-diene-3,8-dicarboxylate
CID 15175272
CID 11389679
CID 11389679
diethyl cyclohepta-2,7-diene-1,2-dicarboxylate
CID 66809712
ethyl 2,3,6-trimethylbenzoate
CID 13126297

Frequently Asked Questions

What is the IUPAC name of ethyl 2H-pyran-5-carboxylate?
The IUPAC name of ethyl 2H-pyran-5-carboxylate (CID 56632692) is ethyl 2H-pyran-5-carboxylate.
What is the SMILES notation for ethyl 2H-pyran-5-carboxylate?
The canonical SMILES for ethyl 2H-pyran-5-carboxylate is CCOC(=O)C1=COCC=C1.
What is the InChIKey of ethyl 2H-pyran-5-carboxylate?
The InChIKey is PJHIQNPFEHZYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-2-11-8(9)7-4-3-5-10-6-7/h3-4,6H,2,5H2,1H3.
What are the key properties of ethyl 2H-pyran-5-carboxylate?
ethyl 2H-pyran-5-carboxylate has a molecular weight of 154.16 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2H-pyran-5-carboxylate is sourced from PubChem (CID 56632692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).