methyl 2,5-dimethoxy-2,5-dihydrofuran-3-carboxylate

C8H12O5 — CID 12827045

IUPACmethyl 2,5-dimethoxy-2,5-dihydrofuran-3-carboxylate
SMILESCOC(=O)C1=CC(OC)OC1OC
InChIInChI=1S/C8H12O5/c1-10-6-4-5(7(9)11-2)8(12-3)13-6/h4,6,8H,1-3H3
InChIKeyTVAGUVQXWNNCPF-UHFFFAOYSA-N
MW188.18 g/mol
LogP0.06
Rot. Bonds3

About methyl 2,5-dimethoxy-2,5-dihydrofuran-3-carboxylate

methyl 2,5-dimethoxy-2,5-dihydrofuran-3-carboxylate (PubChem CID 12827045) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is methyl 2,5-dimethoxy-2,5-dihydrofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,5-dimethoxy-2,5-dihydrofuran-3-carboxylate
PubChem CID12827045
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Namemethyl 2,5-dimethoxy-2,5-dihydrofuran-3-carboxylate
SMILESCOC(=O)C1=CC(OC)OC1OC
InChIInChI=1S/C8H12O5/c1-10-6-4-5(7(9)11-2)8(12-3)13-6/h4,6,8H,1-3H3
InChIKeyTVAGUVQXWNNCPF-UHFFFAOYSA-N
XLogP0.06
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 45116477
CID 45116477
CID 155519471
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CID 10329392
CID 10329392
CID 6436626
CID 6436626
CID 332576
CID 332576
CID 15153939
CID 15153939
CID 44240837
CID 44240837
CID 101005071
CID 101005071
CID 154717989
CID 154717989
CID 92085
CID 92085
CID 353091
CID 353091
CID 10241568
CID 10241568

Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dimethoxy-2,5-dihydrofuran-3-carboxylate?
The IUPAC name of methyl 2,5-dimethoxy-2,5-dihydrofuran-3-carboxylate (CID 12827045) is methyl 2,5-dimethoxy-2,5-dihydrofuran-3-carboxylate.
What is the SMILES notation for methyl 2,5-dimethoxy-2,5-dihydrofuran-3-carboxylate?
The canonical SMILES for methyl 2,5-dimethoxy-2,5-dihydrofuran-3-carboxylate is COC(=O)C1=CC(OC)OC1OC.
What is the InChIKey of methyl 2,5-dimethoxy-2,5-dihydrofuran-3-carboxylate?
The InChIKey is TVAGUVQXWNNCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O5/c1-10-6-4-5(7(9)11-2)8(12-3)13-6/h4,6,8H,1-3H3.
What are the key properties of methyl 2,5-dimethoxy-2,5-dihydrofuran-3-carboxylate?
methyl 2,5-dimethoxy-2,5-dihydrofuran-3-carboxylate has a molecular weight of 188.18 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dimethoxy-2,5-dihydrofuran-3-carboxylate is sourced from PubChem (CID 12827045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).