ethyl (2S,3R)-3-acetyloxy-3,6-dihydro-2H-pyran-2-carboxylate

C10H14O5 — CID 10242330

IUPACethyl (2S,3R)-3-acetyloxy-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCCOC(=O)[C@H]1OCC=C[C@H]1OC(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/t8-,9+/m1/s1
InChIKeyUCRSKWLCRQVKIT-BDAKNGLRSA-N
MW214.22 g/mol
LogP0.44
Rot. Bonds3

About ethyl (2S,3R)-3-acetyloxy-3,6-dihydro-2H-pyran-2-carboxylate

ethyl (2S,3R)-3-acetyloxy-3,6-dihydro-2H-pyran-2-carboxylate (PubChem CID 10242330) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is ethyl (2S,3R)-3-acetyloxy-3,6-dihydro-2H-pyran-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S,3R)-3-acetyloxy-3,6-dihydro-2H-pyran-2-carboxylate
PubChem CID10242330
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Nameethyl (2S,3R)-3-acetyloxy-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCCOC(=O)[C@H]1OCC=C[C@H]1OC(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/t8-,9+/m1/s1
InChIKeyUCRSKWLCRQVKIT-BDAKNGLRSA-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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Related Compounds

Methyl 7-oxabicyclo[4.1.0]hepta-2,4-diene-1-carboxylate
CID 12414263
[(2S)-5-oxo-2H-pyran-2-yl]methyl butanoate
CID 145962393
[(2R,3S,6R)-3-acetyloxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 11807214
Cis 3-hydroxy-3,6-dihydro-2H-pyran-2-carboxylic acid ethyl ester
CID 10103604
methyl 2-(hydroxymethyl)-3,6-dihydro-2H-pyran-2-carboxylate
CID 139026615
[(2R,3R,6S)-3-acetyloxy-6-propa-1,2-dienyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 21597506
[(2R,3R)-3-acetyloxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 101175371
ethyl (2S,3S)-3-hydroxy-3,6-dihydro-2H-pyran-2-carboxylate
CID 10397240
ethyl (2S,3R)-3-[(E)-prop-1-enyl]oxirane-2-carboxylate
CID 10820809
1,5-Anhydro-2,3-dideoxy-D-erythro-hex-2-enitol 4,6-Diacetate
CID 11481302
ethyl (2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate
CID 11735582
Tert-butyl 7-oxabicyclo[4.1.0]hepta-2,4-diene-1-carboxylate
CID 12488874

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3R)-3-acetyloxy-3,6-dihydro-2H-pyran-2-carboxylate?
The IUPAC name of ethyl (2S,3R)-3-acetyloxy-3,6-dihydro-2H-pyran-2-carboxylate (CID 10242330) is ethyl (2S,3R)-3-acetyloxy-3,6-dihydro-2H-pyran-2-carboxylate.
What is the SMILES notation for ethyl (2S,3R)-3-acetyloxy-3,6-dihydro-2H-pyran-2-carboxylate?
The canonical SMILES for ethyl (2S,3R)-3-acetyloxy-3,6-dihydro-2H-pyran-2-carboxylate is CCOC(=O)[C@H]1OCC=C[C@H]1OC(C)=O.
What is the InChIKey of ethyl (2S,3R)-3-acetyloxy-3,6-dihydro-2H-pyran-2-carboxylate?
The InChIKey is UCRSKWLCRQVKIT-BDAKNGLRSA-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/t8-,9+/m1/s1.
What are the key properties of ethyl (2S,3R)-3-acetyloxy-3,6-dihydro-2H-pyran-2-carboxylate?
ethyl (2S,3R)-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 (2S,3R)-3-acetyloxy-3,6-dihydro-2H-pyran-2-carboxylate is sourced from PubChem (CID 10242330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).