ethyl (2S)-2H-pyran-2-carboxylate

C8H10O3 — CID 91435005

IUPACethyl (2S)-2H-pyran-2-carboxylate
SMILESCCOC(=O)[C@@H]1C=CC=CO1
InChIInChI=1S/C8H10O3/c1-2-10-8(9)7-5-3-4-6-11-7/h3-7H,2H2,1H3/t7-/m0/s1
InChIKeyBFSWYEYFSYLMCV-ZETCQYMHSA-N
MW154.16 g/mol
LogP1.02
Rot. Bonds2

About ethyl (2S)-2H-pyran-2-carboxylate

ethyl (2S)-2H-pyran-2-carboxylate (PubChem CID 91435005) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is ethyl (2S)-2H-pyran-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-2H-pyran-2-carboxylate
PubChem CID91435005
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Nameethyl (2S)-2H-pyran-2-carboxylate
SMILESCCOC(=O)[C@@H]1C=CC=CO1
InChIInChI=1S/C8H10O3/c1-2-10-8(9)7-5-3-4-6-11-7/h3-7H,2H2,1H3/t7-/m0/s1
InChIKeyBFSWYEYFSYLMCV-ZETCQYMHSA-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

Methyl 2,5-dihydrofuran-2-carboxylate
CID 12634722
cis-1,2-Diacetoxy-3,5-cyclohexadiene
CID 5325690
5,6-Diacetoxycyclohexa-1,3-diene
CID 12651508
[(1R,6R)-6-acetyloxycyclohexa-2,4-dien-1-yl] acetate
CID 12651509
Pyrosaure
CID 13541300
Carbethoxypyran
CID 129813797
(2R)-2-(4-fluorocyclohexa-1,5-dien-1-yl)oxypropanoic acid
CID 68062986
difluoromethyl 2H-pyran-2-carboxylate
CID 141511051
(2,2,2-trifluoroacetyl) 2H-pyran-2-carboxylate
CID 141853496
ethyl 3,4,5-trifluoro-2H-pyran-2-carboxylate
CID 152518787
methyl 3,6-dihydro-2H-pyran-2-carboxylate
CID 13756578
methyl (2S,6S)-2-ethyl-3,6-dihydro-2H-pyran-6-carboxylate
CID 10511355

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2H-pyran-2-carboxylate?
The IUPAC name of ethyl (2S)-2H-pyran-2-carboxylate (CID 91435005) is ethyl (2S)-2H-pyran-2-carboxylate.
What is the SMILES notation for ethyl (2S)-2H-pyran-2-carboxylate?
The canonical SMILES for ethyl (2S)-2H-pyran-2-carboxylate is CCOC(=O)[C@@H]1C=CC=CO1.
What is the InChIKey of ethyl (2S)-2H-pyran-2-carboxylate?
The InChIKey is BFSWYEYFSYLMCV-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10O3/c1-2-10-8(9)7-5-3-4-6-11-7/h3-7H,2H2,1H3/t7-/m0/s1.
What are the key properties of ethyl (2S)-2H-pyran-2-carboxylate?
ethyl (2S)-2H-pyran-2-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 (2S)-2H-pyran-2-carboxylate is sourced from PubChem (CID 91435005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).