ethyl 3,4-dihydro-2H-pyran-5-carboxylate

C8H12O3 — CID 45090215

IUPACethyl 3,4-dihydro-2H-pyran-5-carboxylate
SMILESCCOC(=O)C1=COCCC1
InChIInChI=1S/C8H12O3/c1-2-11-8(9)7-4-3-5-10-6-7/h6H,2-5H2,1H3
InChIKeyVJMSJVNTSXUOHJ-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.24
Rot. Bonds2

About ethyl 3,4-dihydro-2H-pyran-5-carboxylate

ethyl 3,4-dihydro-2H-pyran-5-carboxylate (PubChem CID 45090215) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is ethyl 3,4-dihydro-2H-pyran-5-carboxylate.

Molecular Properties

Compound Nameethyl 3,4-dihydro-2H-pyran-5-carboxylate
PubChem CID45090215
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Nameethyl 3,4-dihydro-2H-pyran-5-carboxylate
SMILESCCOC(=O)C1=COCCC1
InChIInChI=1S/C8H12O3/c1-2-11-8(9)7-4-3-5-10-6-7/h6H,2-5H2,1H3
InChIKeyVJMSJVNTSXUOHJ-UHFFFAOYSA-N
XLogP1.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,4-dihydro-2H-pyran-5-carboxylate?
The IUPAC name of ethyl 3,4-dihydro-2H-pyran-5-carboxylate (CID 45090215) is ethyl 3,4-dihydro-2H-pyran-5-carboxylate.
What is the SMILES notation for ethyl 3,4-dihydro-2H-pyran-5-carboxylate?
The canonical SMILES for ethyl 3,4-dihydro-2H-pyran-5-carboxylate is CCOC(=O)C1=COCCC1.
What is the InChIKey of ethyl 3,4-dihydro-2H-pyran-5-carboxylate?
The InChIKey is VJMSJVNTSXUOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-2-11-8(9)7-4-3-5-10-6-7/h6H,2-5H2,1H3.
What are the key properties of ethyl 3,4-dihydro-2H-pyran-5-carboxylate?
ethyl 3,4-dihydro-2H-pyran-5-carboxylate has a molecular weight of 156.18 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,4-dihydro-2H-pyran-5-carboxylate is sourced from PubChem (CID 45090215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).