dimethyl 3-ethyl-5-methyloxane-3,4-dicarboxylate

C12H20O5 — CID 134215133

IUPACdimethyl 3-ethyl-5-methyloxane-3,4-dicarboxylate
SMILESCCC1(C(=O)OC)COCC(C)C1C(=O)OC
InChIInChI=1S/C12H20O5/c1-5-12(11(14)16-4)7-17-6-8(2)9(12)10(13)15-3/h8-9H,5-7H2,1-4H3
InChIKeyVQJZWNHTTBTVGF-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.01
Rot. Bonds3

About dimethyl 3-ethyl-5-methyloxane-3,4-dicarboxylate

dimethyl 3-ethyl-5-methyloxane-3,4-dicarboxylate (PubChem CID 134215133) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is dimethyl 3-ethyl-5-methyloxane-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-ethyl-5-methyloxane-3,4-dicarboxylate
PubChem CID134215133
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Namedimethyl 3-ethyl-5-methyloxane-3,4-dicarboxylate
SMILESCCC1(C(=O)OC)COCC(C)C1C(=O)OC
InChIInChI=1S/C12H20O5/c1-5-12(11(14)16-4)7-17-6-8(2)9(12)10(13)15-3/h8-9H,5-7H2,1-4H3
InChIKeyVQJZWNHTTBTVGF-UHFFFAOYSA-N
XLogP1.01
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3,4-dimethyloxolane-3-carboxylate
CID 132519083
methyl 7-amino-2,5-dioxaspiro[3.4]octane-8-carboxylate
CID 165444175
methyl 2-ethyl-2-methyl-1,3-dioxolane-4-carboxylate
CID 175220005
methyl 4-methyl-1,6-dioxaspiro[2.4]heptane-2-carboxylate
CID 165448019
methyl 2-ethylbicyclo[2.2.1]heptane-2-carboxylate
CID 174441667
methyl 4-amino-3,3,5-trimethyloxane-4-carboxylate
CID 83908398
methyl 4-propyloxolane-3-carboxylate
CID 162735076
trans-dimethyl (1S,2S)-1-(bromomethyl)cyclopropane-1,2-dicarboxylate
CID 131844843
methyl 4-hydroxy-1,3-oxazolidine-4-carboxylate
CID 175491965
methyl 1-(2-methoxy-2-oxoethyl)-2-methylcyclopropane-1-carboxylate
CID 102304411
methyl 4-amino-3-ethylthiane-3-carboxylate
CID 84777535
methyl 2,9-dioxa-6-azaspiro[4.5]decane-7-carboxylate
CID 105453383

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-ethyl-5-methyloxane-3,4-dicarboxylate?
The IUPAC name of dimethyl 3-ethyl-5-methyloxane-3,4-dicarboxylate (CID 134215133) is dimethyl 3-ethyl-5-methyloxane-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 3-ethyl-5-methyloxane-3,4-dicarboxylate?
The canonical SMILES for dimethyl 3-ethyl-5-methyloxane-3,4-dicarboxylate is CCC1(C(=O)OC)COCC(C)C1C(=O)OC.
What is the InChIKey of dimethyl 3-ethyl-5-methyloxane-3,4-dicarboxylate?
The InChIKey is VQJZWNHTTBTVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5/c1-5-12(11(14)16-4)7-17-6-8(2)9(12)10(13)15-3/h8-9H,5-7H2,1-4H3.
What are the key properties of dimethyl 3-ethyl-5-methyloxane-3,4-dicarboxylate?
dimethyl 3-ethyl-5-methyloxane-3,4-dicarboxylate has a molecular weight of 244.29 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-ethyl-5-methyloxane-3,4-dicarboxylate is sourced from PubChem (CID 134215133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).