dimethyl 1,4,5,6-tetramethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

C15H22O4 — CID 141186928

IUPACdimethyl 1,4,5,6-tetramethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
SMILESCOC(=O)C1C(C(=O)OC)C2(C)CC1(C)C(C)=C2C
InChIInChI=1S/C15H22O4/c1-8-9(2)15(4)7-14(8,3)10(12(16)18-5)11(15)13(17)19-6/h10-11H,7H2,1-6H3
InChIKeyMJMRZQJPZFKZIJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.33
Rot. Bonds2

About dimethyl 1,4,5,6-tetramethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

dimethyl 1,4,5,6-tetramethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate (PubChem CID 141186928) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is dimethyl 1,4,5,6-tetramethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1,4,5,6-tetramethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
PubChem CID141186928
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Namedimethyl 1,4,5,6-tetramethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
SMILESCOC(=O)C1C(C(=O)OC)C2(C)CC1(C)C(C)=C2C
InChIInChI=1S/C15H22O4/c1-8-9(2)15(4)7-14(8,3)10(12(16)18-5)11(15)13(17)19-6/h10-11H,7H2,1-6H3
InChIKeyMJMRZQJPZFKZIJ-UHFFFAOYSA-N
XLogP2.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Dimethyl carbate
CID 10921747
Dimethyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate
CID 38295
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 5,6-dimethyl-1-(1-methylethenyl)-, methyl ester
CID 154413761
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 1,6-dimethyl-5-(1-methylethenyl)-, methyl ester
CID 111351
5-Norbornene-2-yl
CID 11020143
dimethyl (1S,2R,3S,4S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 71774612
(2R,3aS,7aR)-3,3,6-trimethylspiro[3a,4,5,7a-tetrahydro-1H-indene-2,3'-oxolane]-2'-one
CID 23425006
(2R,3aR,7aS)-3,3,6-trimethylspiro[3a,4,5,7a-tetrahydro-1H-indene-2,3'-oxolane]-2'-one
CID 162953247
5-Norbornene-2, dimethyl ester, cis-endo-
CID 240308
dimethyl (1R,2R,3R,4S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 6994027
Dimethyl 1-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 14563517
5,6-Dimethoxycarbonylnorbornene, endo,exo-
CID 10987528

Frequently Asked Questions

What is the IUPAC name of dimethyl 1,4,5,6-tetramethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
The IUPAC name of dimethyl 1,4,5,6-tetramethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate (CID 141186928) is dimethyl 1,4,5,6-tetramethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 1,4,5,6-tetramethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
The canonical SMILES for dimethyl 1,4,5,6-tetramethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate is COC(=O)C1C(C(=O)OC)C2(C)CC1(C)C(C)=C2C.
What is the InChIKey of dimethyl 1,4,5,6-tetramethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
The InChIKey is MJMRZQJPZFKZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-8-9(2)15(4)7-14(8,3)10(12(16)18-5)11(15)13(17)19-6/h10-11H,7H2,1-6H3.
What are the key properties of dimethyl 1,4,5,6-tetramethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
dimethyl 1,4,5,6-tetramethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1,4,5,6-tetramethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate is sourced from PubChem (CID 141186928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).