dimethyl 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarboxylate

C14H18O6 — CID 3519401

IUPACdimethyl 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarboxylate
SMILESCOC(=O)C12C3CCC(O3)C1(C(=O)OC)C1CCC2O1
InChIInChI=1S/C14H18O6/c1-17-11(15)13-7-3-5-9(19-7)14(13,12(16)18-2)10-6-4-8(13)20-10/h7-10H,3-6H2,1-2H3
InChIKeyRXTLHUBLOOZXGU-UHFFFAOYSA-N
MW282.29 g/mol
LogP0.43
Rot. Bonds2

About dimethyl 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarboxylate

dimethyl 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarboxylate (PubChem CID 3519401) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is dimethyl 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarboxylate
PubChem CID3519401
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Namedimethyl 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarboxylate
SMILESCOC(=O)C12C3CCC(O3)C1(C(=O)OC)C1CCC2O1
InChIInChI=1S/C14H18O6/c1-17-11(15)13-7-3-5-9(19-7)14(13,12(16)18-2)10-6-4-8(13)20-10/h7-10H,3-6H2,1-2H3
InChIKeyRXTLHUBLOOZXGU-UHFFFAOYSA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarboxylate?
The IUPAC name of dimethyl 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarboxylate (CID 3519401) is dimethyl 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarboxylate.
What is the SMILES notation for dimethyl 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarboxylate?
The canonical SMILES for dimethyl 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarboxylate is COC(=O)C12C3CCC(O3)C1(C(=O)OC)C1CCC2O1.
What is the InChIKey of dimethyl 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarboxylate?
The InChIKey is RXTLHUBLOOZXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O6/c1-17-11(15)13-7-3-5-9(19-7)14(13,12(16)18-2)10-6-4-8(13)20-10/h7-10H,3-6H2,1-2H3.
What are the key properties of dimethyl 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarboxylate?
dimethyl 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarboxylate has a molecular weight of 282.29 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarboxylate is sourced from PubChem (CID 3519401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).