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

C11H18O7 — CID 14092370

IUPACmethyl 2,2,3,4-tetramethoxy-3,4-dihydropyran-6-carboxylate
SMILESCOC(=O)C1=CC(OC)C(OC)C(OC)(OC)O1
InChIInChI=1S/C11H18O7/c1-13-7-6-8(10(12)15-3)18-11(16-4,17-5)9(7)14-2/h6-7,9H,1-5H3
InChIKeyKSFLTMKOSQUTOC-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.05
Rot. Bonds5

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

methyl 2,2,3,4-tetramethoxy-3,4-dihydropyran-6-carboxylate (PubChem CID 14092370) has the molecular formula C11H18O7 and a molecular weight of 262.26 g/mol. Its IUPAC name is methyl 2,2,3,4-tetramethoxy-3,4-dihydropyran-6-carboxylate.

Molecular Properties

Compound Namemethyl 2,2,3,4-tetramethoxy-3,4-dihydropyran-6-carboxylate
PubChem CID14092370
Molecular FormulaC11H18O7
Molecular Weight262.26 g/mol
Exact Mass262.11
IUPAC Namemethyl 2,2,3,4-tetramethoxy-3,4-dihydropyran-6-carboxylate
SMILESCOC(=O)C1=CC(OC)C(OC)C(OC)(OC)O1
InChIInChI=1S/C11H18O7/c1-13-7-6-8(10(12)15-3)18-11(16-4,17-5)9(7)14-2/h6-7,9H,1-5H3
InChIKeyKSFLTMKOSQUTOC-UHFFFAOYSA-N
XLogP0.05
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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
2,6-anhydro-4,5-O-[(1R)-1-carboxyethylidene]-3-deoxy-L-threo-hex-2-enonic acid
CID 163321761
2,4-Dimethoxy-2-methyl-6H-pyran-3-one
CID 85526577
Qlgkdnakgubftf-uhfffaoysa-
CID 13153938
[(5S)-2,2-dimethyl-6-oxo-1,3,10-trioxaspiro[4.5]dec-7-en-7-yl] acetate
CID 11637310
4,6-Dimethoxy-2-methyl-2H-pyran-3(6H)-one
CID 20348359

Frequently Asked Questions

What is the IUPAC name of methyl 2,2,3,4-tetramethoxy-3,4-dihydropyran-6-carboxylate?
The IUPAC name of methyl 2,2,3,4-tetramethoxy-3,4-dihydropyran-6-carboxylate (CID 14092370) is methyl 2,2,3,4-tetramethoxy-3,4-dihydropyran-6-carboxylate.
What is the SMILES notation for methyl 2,2,3,4-tetramethoxy-3,4-dihydropyran-6-carboxylate?
The canonical SMILES for methyl 2,2,3,4-tetramethoxy-3,4-dihydropyran-6-carboxylate is COC(=O)C1=CC(OC)C(OC)C(OC)(OC)O1.
What is the InChIKey of methyl 2,2,3,4-tetramethoxy-3,4-dihydropyran-6-carboxylate?
The InChIKey is KSFLTMKOSQUTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O7/c1-13-7-6-8(10(12)15-3)18-11(16-4,17-5)9(7)14-2/h6-7,9H,1-5H3.
What are the key properties of methyl 2,2,3,4-tetramethoxy-3,4-dihydropyran-6-carboxylate?
methyl 2,2,3,4-tetramethoxy-3,4-dihydropyran-6-carboxylate has a molecular weight of 262.26 g/mol, XLogP of 0.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2,3,4-tetramethoxy-3,4-dihydropyran-6-carboxylate is sourced from PubChem (CID 14092370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).