methyl 2,3,4-trimethoxy-3,4-dihydro-2H-pyran-6-carboxylate

C10H16O6 — CID 6421444

IUPACmethyl 2,3,4-trimethoxy-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=CC(OC)C(OC)C(OC)O1
InChIInChI=1S/C10H16O6/c1-12-6-5-7(9(11)14-3)16-10(15-4)8(6)13-2/h5-6,8,10H,1-4H3
InChIKeyUHWNVQGHXVRSME-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.08
Rot. Bonds4

About methyl 2,3,4-trimethoxy-3,4-dihydro-2H-pyran-6-carboxylate

methyl 2,3,4-trimethoxy-3,4-dihydro-2H-pyran-6-carboxylate (PubChem CID 6421444) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is methyl 2,3,4-trimethoxy-3,4-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

Compound Namemethyl 2,3,4-trimethoxy-3,4-dihydro-2H-pyran-6-carboxylate
PubChem CID6421444
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Namemethyl 2,3,4-trimethoxy-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=CC(OC)C(OC)C(OC)O1
InChIInChI=1S/C10H16O6/c1-12-6-5-7(9(11)14-3)16-10(15-4)8(6)13-2/h5-6,8,10H,1-4H3
InChIKeyUHWNVQGHXVRSME-UHFFFAOYSA-N
XLogP0.08
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2,3,4-trimethoxy-3,4-dihydro-2H-pyran-6-carboxylate?
The IUPAC name of methyl 2,3,4-trimethoxy-3,4-dihydro-2H-pyran-6-carboxylate (CID 6421444) is methyl 2,3,4-trimethoxy-3,4-dihydro-2H-pyran-6-carboxylate.
What is the SMILES notation for methyl 2,3,4-trimethoxy-3,4-dihydro-2H-pyran-6-carboxylate?
The canonical SMILES for methyl 2,3,4-trimethoxy-3,4-dihydro-2H-pyran-6-carboxylate is COC(=O)C1=CC(OC)C(OC)C(OC)O1.
What is the InChIKey of methyl 2,3,4-trimethoxy-3,4-dihydro-2H-pyran-6-carboxylate?
The InChIKey is UHWNVQGHXVRSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6/c1-12-6-5-7(9(11)14-3)16-10(15-4)8(6)13-2/h5-6,8,10H,1-4H3.
What are the key properties of methyl 2,3,4-trimethoxy-3,4-dihydro-2H-pyran-6-carboxylate?
methyl 2,3,4-trimethoxy-3,4-dihydro-2H-pyran-6-carboxylate has a molecular weight of 232.23 g/mol, XLogP of 0.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3,4-trimethoxy-3,4-dihydro-2H-pyran-6-carboxylate is sourced from PubChem (CID 6421444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).