dimethyl (1'R,4'R,6'R)-6'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2',3'-dicarboxylate

C14H18O6 — CID 14965907

IUPACdimethyl (1'R,4'R,6'R)-6'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2',3'-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)[C@@H]2C[C@H]1C1(OCCO1)[C@@H]2C
InChIInChI=1S/C14H18O6/c1-7-8-6-9(14(7)19-4-5-20-14)11(13(16)18-3)10(8)12(15)17-2/h7-9H,4-6H2,1-3H3/t7-,8-,9-/m1/s1
InChIKeyCDDFAKOZAUOKOX-IWSPIJDZSA-N
MW282.29 g/mol
LogP0.66
Rot. Bonds2

About dimethyl (1'R,4'R,6'R)-6'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2',3'-dicarboxylate

dimethyl (1'R,4'R,6'R)-6'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2',3'-dicarboxylate (PubChem CID 14965907) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is dimethyl (1'R,4'R,6'R)-6'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2',3'-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1'R,4'R,6'R)-6'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2',3'-dicarboxylate
PubChem CID14965907
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Namedimethyl (1'R,4'R,6'R)-6'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2',3'-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)[C@@H]2C[C@H]1C1(OCCO1)[C@@H]2C
InChIInChI=1S/C14H18O6/c1-7-8-6-9(14(7)19-4-5-20-14)11(13(16)18-3)10(8)12(15)17-2/h7-9H,4-6H2,1-3H3/t7-,8-,9-/m1/s1
InChIKeyCDDFAKOZAUOKOX-IWSPIJDZSA-N
XLogP0.66
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze dimethyl (1'R,4'R,6'R)-6'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2',3'-dicarboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of dimethyl (1'R,4'R,6'R)-6'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2',3'-dicarboxylate?
The IUPAC name of dimethyl (1'R,4'R,6'R)-6'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2',3'-dicarboxylate (CID 14965907) is dimethyl (1'R,4'R,6'R)-6'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2',3'-dicarboxylate.
What is the SMILES notation for dimethyl (1'R,4'R,6'R)-6'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2',3'-dicarboxylate?
The canonical SMILES for dimethyl (1'R,4'R,6'R)-6'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2',3'-dicarboxylate is COC(=O)C1=C(C(=O)OC)[C@@H]2C[C@H]1C1(OCCO1)[C@@H]2C.
What is the InChIKey of dimethyl (1'R,4'R,6'R)-6'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2',3'-dicarboxylate?
The InChIKey is CDDFAKOZAUOKOX-IWSPIJDZSA-N. The full InChI is InChI=1S/C14H18O6/c1-7-8-6-9(14(7)19-4-5-20-14)11(13(16)18-3)10(8)12(15)17-2/h7-9H,4-6H2,1-3H3/t7-,8-,9-/m1/s1.
What are the key properties of dimethyl (1'R,4'R,6'R)-6'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2',3'-dicarboxylate?
dimethyl (1'R,4'R,6'R)-6'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2',3'-dicarboxylate has a molecular weight of 282.29 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1'R,4'R,6'R)-6'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2',3'-dicarboxylate is sourced from PubChem (CID 14965907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).