ethyl 3,4-dihydro-2H-pyran-6-carboxylate

C8H12O3 — CID 12808680

IUPACethyl 3,4-dihydro-2H-pyran-6-carboxylate
SMILESCCOC(=O)C1=CCCCO1
InChIInChI=1S/C8H12O3/c1-2-10-8(9)7-5-3-4-6-11-7/h5H,2-4,6H2,1H3
InChIKeyQQPUHLCPSKQAGV-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.24
Rot. Bonds2

About ethyl 3,4-dihydro-2H-pyran-6-carboxylate

ethyl 3,4-dihydro-2H-pyran-6-carboxylate (PubChem CID 12808680) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is ethyl 3,4-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

Compound Nameethyl 3,4-dihydro-2H-pyran-6-carboxylate
PubChem CID12808680
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Nameethyl 3,4-dihydro-2H-pyran-6-carboxylate
SMILESCCOC(=O)C1=CCCCO1
InChIInChI=1S/C8H12O3/c1-2-10-8(9)7-5-3-4-6-11-7/h5H,2-4,6H2,1H3
InChIKeyQQPUHLCPSKQAGV-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-6-carboxylate?
The IUPAC name of ethyl 3,4-dihydro-2H-pyran-6-carboxylate (CID 12808680) is ethyl 3,4-dihydro-2H-pyran-6-carboxylate.
What is the SMILES notation for ethyl 3,4-dihydro-2H-pyran-6-carboxylate?
The canonical SMILES for ethyl 3,4-dihydro-2H-pyran-6-carboxylate is CCOC(=O)C1=CCCCO1.
What is the InChIKey of ethyl 3,4-dihydro-2H-pyran-6-carboxylate?
The InChIKey is QQPUHLCPSKQAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-2-10-8(9)7-5-3-4-6-11-7/h5H,2-4,6H2,1H3.
What are the key properties of ethyl 3,4-dihydro-2H-pyran-6-carboxylate?
ethyl 3,4-dihydro-2H-pyran-6-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-6-carboxylate is sourced from PubChem (CID 12808680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).