methyl 2,2,4-trimethoxy-3,4-dihydropyran-6-carboxylate

C10H16O6 — CID 14092365

IUPACmethyl 2,2,4-trimethoxy-3,4-dihydropyran-6-carboxylate
SMILESCOC(=O)C1=CC(OC)CC(OC)(OC)O1
InChIInChI=1S/C10H16O6/c1-12-7-5-8(9(11)13-2)16-10(6-7,14-3)15-4/h5,7H,6H2,1-4H3
InChIKeyCDZSKESQDJIRQT-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.43
Rot. Bonds4

About methyl 2,2,4-trimethoxy-3,4-dihydropyran-6-carboxylate

methyl 2,2,4-trimethoxy-3,4-dihydropyran-6-carboxylate (PubChem CID 14092365) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is methyl 2,2,4-trimethoxy-3,4-dihydropyran-6-carboxylate.

Molecular Properties

Compound Namemethyl 2,2,4-trimethoxy-3,4-dihydropyran-6-carboxylate
PubChem CID14092365
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Namemethyl 2,2,4-trimethoxy-3,4-dihydropyran-6-carboxylate
SMILESCOC(=O)C1=CC(OC)CC(OC)(OC)O1
InChIInChI=1S/C10H16O6/c1-12-7-5-8(9(11)13-2)16-10(6-7,14-3)15-4/h5,7H,6H2,1-4H3
InChIKeyCDZSKESQDJIRQT-UHFFFAOYSA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dimethoxy-2H-furan-5-one
CID 5249145
L-Ascorbic acid, 2,3-di-O-methyl-5,6-O-(1-methylethylidene)-
CID 10977677
[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methoxy-5-oxo-2H-furan-3-yl] acetate
CID 44292304
(6R)-4,6-dimethoxy-6-methyl-2H-pyran-5-one
CID 162891934
[4-allyloxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-oxo-2H-furan-3-yl] acetate
CID 386045
3,4-Bis-allyloxy-5-(2,2-dimethyl-[1,3]dioxolan-4-yl)-5H-furan-2-one
CID 386048
[3-allyloxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-oxo-2H-furan-4-yl] acetate
CID 387132
2,4-Dimethoxy-2-methyl-6H-pyran-3-one
CID 85526577
Qlgkdnakgubftf-uhfffaoysa-
CID 13153938
ethyl (Z)-2-acetyloxyhept-2-enoate
CID 21632746
ethyl (E)-2-acetyloxyhept-2-enoate
CID 21632747
Glkjzhblohozcb-gxsjlcmtsa-
CID 11076991

Frequently Asked Questions

What is the IUPAC name of methyl 2,2,4-trimethoxy-3,4-dihydropyran-6-carboxylate?
The IUPAC name of methyl 2,2,4-trimethoxy-3,4-dihydropyran-6-carboxylate (CID 14092365) is methyl 2,2,4-trimethoxy-3,4-dihydropyran-6-carboxylate.
What is the SMILES notation for methyl 2,2,4-trimethoxy-3,4-dihydropyran-6-carboxylate?
The canonical SMILES for methyl 2,2,4-trimethoxy-3,4-dihydropyran-6-carboxylate is COC(=O)C1=CC(OC)CC(OC)(OC)O1.
What is the InChIKey of methyl 2,2,4-trimethoxy-3,4-dihydropyran-6-carboxylate?
The InChIKey is CDZSKESQDJIRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6/c1-12-7-5-8(9(11)13-2)16-10(6-7,14-3)15-4/h5,7H,6H2,1-4H3.
What are the key properties of methyl 2,2,4-trimethoxy-3,4-dihydropyran-6-carboxylate?
methyl 2,2,4-trimethoxy-3,4-dihydropyran-6-carboxylate has a molecular weight of 232.23 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2,4-trimethoxy-3,4-dihydropyran-6-carboxylate is sourced from PubChem (CID 14092365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).