ethyl (2R,3R,6S)-3-hydroxy-6-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carboxylate

C10H16O5 — CID 10878556

IUPACethyl (2R,3R,6S)-3-hydroxy-6-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCCOC(=O)[C@@H]1O[C@H](OC)C=C(C)[C@H]1O
InChIInChI=1S/C10H16O5/c1-4-14-10(12)9-8(11)6(2)5-7(13-3)15-9/h5,7-9,11H,4H2,1-3H3/t7-,8+,9+/m0/s1
InChIKeyBGOVPVNVCBRBJL-DJLDLDEBSA-N
MW216.23 g/mol
LogP0.23
Rot. Bonds3

About ethyl (2R,3R,6S)-3-hydroxy-6-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carboxylate

ethyl (2R,3R,6S)-3-hydroxy-6-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carboxylate (PubChem CID 10878556) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is ethyl (2R,3R,6S)-3-hydroxy-6-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3R,6S)-3-hydroxy-6-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carboxylate
PubChem CID10878556
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Nameethyl (2R,3R,6S)-3-hydroxy-6-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCCOC(=O)[C@@H]1O[C@H](OC)C=C(C)[C@H]1O
InChIInChI=1S/C10H16O5/c1-4-14-10(12)9-8(11)6(2)5-7(13-3)15-9/h5,7-9,11H,4H2,1-3H3/t7-,8+,9+/m0/s1
InChIKeyBGOVPVNVCBRBJL-DJLDLDEBSA-N
XLogP0.23
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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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Related Compounds

2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetic Acid
CID 10352807
(4S,5S)-2-(6-methylhepta-1,5-dien-2-yl)-1,3-dioxolane-4,5-dicarboxylic acid
CID 20637640
2-(6-Methylhepta-1,5-dien-2-yl)-1,3-dioxolane-4,5-dicarboxylic acid
CID 23286482
butyl 6-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 23338792
(2R)-3,5-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-carboxylic acid
CID 58040931
2-[2,3-dihydroxy-1-[(E)-2-methylpent-2-enoxy]propoxy]-3-hydroxypropanoic acid
CID 89066646
(2R,3S)-3,5-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-carboxylic acid
CID 118477335
(4R)-4-[[(3R,6R)-3,5-dihydroxy-2-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]pentanoic acid
CID 144710909
2-[(2R)-3,4-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-yl]acetic acid
CID 149359899
(3S)-3,5-dihydroxy-2-undecan-6-yloxy-3,6-dihydro-2H-pyran-6-carboxylic acid
CID 173911987
methyl 2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetate
CID 10465888
ethyl (4E,8E)-9-(1,3-dioxolan-2-yl)-3-hydroxy-5-methyldeca-4,8-dienoate
CID 10780422

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R,6S)-3-hydroxy-6-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carboxylate?
The IUPAC name of ethyl (2R,3R,6S)-3-hydroxy-6-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carboxylate (CID 10878556) is ethyl (2R,3R,6S)-3-hydroxy-6-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carboxylate.
What is the SMILES notation for ethyl (2R,3R,6S)-3-hydroxy-6-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carboxylate?
The canonical SMILES for ethyl (2R,3R,6S)-3-hydroxy-6-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carboxylate is CCOC(=O)[C@@H]1O[C@H](OC)C=C(C)[C@H]1O.
What is the InChIKey of ethyl (2R,3R,6S)-3-hydroxy-6-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carboxylate?
The InChIKey is BGOVPVNVCBRBJL-DJLDLDEBSA-N. The full InChI is InChI=1S/C10H16O5/c1-4-14-10(12)9-8(11)6(2)5-7(13-3)15-9/h5,7-9,11H,4H2,1-3H3/t7-,8+,9+/m0/s1.
What are the key properties of ethyl (2R,3R,6S)-3-hydroxy-6-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carboxylate?
ethyl (2R,3R,6S)-3-hydroxy-6-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carboxylate has a molecular weight of 216.23 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R,6S)-3-hydroxy-6-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carboxylate is sourced from PubChem (CID 10878556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).