methyl 2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetate

C10H16O5 — CID 10465888

IUPACmethyl 2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetate
SMILESCCO[C@@H]1C=C[C@H](O)[C@@H](CC(=O)OC)O1
InChIInChI=1S/C10H16O5/c1-3-14-10-5-4-7(11)8(15-10)6-9(12)13-2/h4-5,7-8,10-11H,3,6H2,1-2H3/t7-,8+,10-/m0/s1
InChIKeyQPSQRKQYPQQTEL-XKSSXDPKSA-N
MW216.23 g/mol
LogP0.23
Rot. Bonds4

About methyl 2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetate

methyl 2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetate (PubChem CID 10465888) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is methyl 2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetate
PubChem CID10465888
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Namemethyl 2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetate
SMILESCCO[C@@H]1C=C[C@H](O)[C@@H](CC(=O)OC)O1
InChIInChI=1S/C10H16O5/c1-3-14-10-5-4-7(11)8(15-10)6-9(12)13-2/h4-5,7-8,10-11H,3,6H2,1-2H3/t7-,8+,10-/m0/s1
InChIKeyQPSQRKQYPQQTEL-XKSSXDPKSA-N
XLogP0.23
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetate (CID 10465888) is methyl 2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetate is CCO[C@@H]1C=C[C@H](O)[C@@H](CC(=O)OC)O1.
What is the InChIKey of methyl 2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetate?
The InChIKey is QPSQRKQYPQQTEL-XKSSXDPKSA-N. The full InChI is InChI=1S/C10H16O5/c1-3-14-10-5-4-7(11)8(15-10)6-9(12)13-2/h4-5,7-8,10-11H,3,6H2,1-2H3/t7-,8+,10-/m0/s1.
What are the key properties of methyl 2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetate?
methyl 2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetate has a molecular weight of 216.23 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetate is sourced from PubChem (CID 10465888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).