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

C8H12O4 — CID 11745085

IUPACmethyl (2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCOC(=O)[C@H]1CC=C[C@@H](OC)O1
InChIInChI=1S/C8H12O4/c1-10-7-5-3-4-6(12-7)8(9)11-2/h3,5-7H,4H2,1-2H3/t6-,7+/m1/s1
InChIKeyBEPDBZBIHYPLTB-RQJHMYQMSA-N
MW172.18 g/mol
LogP0.48
Rot. Bonds2

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

methyl (2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate (PubChem CID 11745085) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is methyl (2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate
PubChem CID11745085
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Namemethyl (2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCOC(=O)[C@H]1CC=C[C@@H](OC)O1
InChIInChI=1S/C8H12O4/c1-10-7-5-3-4-6(12-7)8(9)11-2/h3,5-7H,4H2,1-2H3/t6-,7+/m1/s1
InChIKeyBEPDBZBIHYPLTB-RQJHMYQMSA-N
XLogP0.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate?
The IUPAC name of methyl (2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate (CID 11745085) is methyl (2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate.
What is the SMILES notation for methyl (2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate?
The canonical SMILES for methyl (2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate is COC(=O)[C@H]1CC=C[C@@H](OC)O1.
What is the InChIKey of methyl (2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate?
The InChIKey is BEPDBZBIHYPLTB-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H12O4/c1-10-7-5-3-4-6(12-7)8(9)11-2/h3,5-7H,4H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of methyl (2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate?
methyl (2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate has a molecular weight of 172.18 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate is sourced from PubChem (CID 11745085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).