dimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8,9-dicarboxylate

C16H20O4 — CID 5082445

IUPACdimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8,9-dicarboxylate
SMILESCOC(=O)C12C3CCC4C3C3C1CCC3C42C(=O)OC
InChIInChI=1S/C16H20O4/c1-19-13(17)15-7-3-5-9-11(7)12-8(15)4-6-10(12)16(9,15)14(18)20-2/h7-12H,3-6H2,1-2H3
InChIKeyJGUGJHZKZJSCIU-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.63
Rot. Bonds2

About dimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8,9-dicarboxylate

dimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8,9-dicarboxylate (PubChem CID 5082445) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is dimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8,9-dicarboxylate.

Molecular Properties

Compound Namedimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8,9-dicarboxylate
PubChem CID5082445
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Namedimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8,9-dicarboxylate
SMILESCOC(=O)C12C3CCC4C3C3C1CCC3C42C(=O)OC
InChIInChI=1S/C16H20O4/c1-19-13(17)15-7-3-5-9-11(7)12-8(15)4-6-10(12)16(9,15)14(18)20-2/h7-12H,3-6H2,1-2H3
InChIKeyJGUGJHZKZJSCIU-UHFFFAOYSA-N
XLogP1.63
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8,9-dicarboxylate?
The IUPAC name of dimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8,9-dicarboxylate (CID 5082445) is dimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8,9-dicarboxylate.
What is the SMILES notation for dimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8,9-dicarboxylate?
The canonical SMILES for dimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8,9-dicarboxylate is COC(=O)C12C3CCC4C3C3C1CCC3C42C(=O)OC.
What is the InChIKey of dimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8,9-dicarboxylate?
The InChIKey is JGUGJHZKZJSCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-19-13(17)15-7-3-5-9-11(7)12-8(15)4-6-10(12)16(9,15)14(18)20-2/h7-12H,3-6H2,1-2H3.
What are the key properties of dimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8,9-dicarboxylate?
dimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8,9-dicarboxylate has a molecular weight of 276.33 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8,9-dicarboxylate is sourced from PubChem (CID 5082445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).