dimethyl tricyclo[6.2.1.02,7]undec-2(7)-ene-4,5-dicarboxylate

C15H20O4 — CID 139714210

IUPACdimethyl tricyclo[6.2.1.02,7]undec-2(7)-ene-4,5-dicarboxylate
SMILESCOC(=O)C1CC2=C(CC1C(=O)OC)C1CCC2C1
InChIInChI=1S/C15H20O4/c1-18-14(16)12-6-10-8-3-4-9(5-8)11(10)7-13(12)15(17)19-2/h8-9,12-13H,3-7H2,1-2H3
InChIKeyAJKADBVRZAHKFS-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.09
Rot. Bonds2

About dimethyl tricyclo[6.2.1.02,7]undec-2(7)-ene-4,5-dicarboxylate

dimethyl tricyclo[6.2.1.02,7]undec-2(7)-ene-4,5-dicarboxylate (PubChem CID 139714210) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is dimethyl tricyclo[6.2.1.02,7]undec-2(7)-ene-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl tricyclo[6.2.1.02,7]undec-2(7)-ene-4,5-dicarboxylate
PubChem CID139714210
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Namedimethyl tricyclo[6.2.1.02,7]undec-2(7)-ene-4,5-dicarboxylate
SMILESCOC(=O)C1CC2=C(CC1C(=O)OC)C1CCC2C1
InChIInChI=1S/C15H20O4/c1-18-14(16)12-6-10-8-3-4-9(5-8)11(10)7-13(12)15(17)19-2/h8-9,12-13H,3-7H2,1-2H3
InChIKeyAJKADBVRZAHKFS-UHFFFAOYSA-N
XLogP2.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.09
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

Bicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid, 2-methyl-, diethyl ester
CID 556803
dimethyl (1R,2S)-3,4-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalene-1,2-dicarboxylate
CID 134861043
methyl 2-[(1S,3R,5S,8R)-5-(2-methoxy-2-oxoethyl)-7,7-dimethyl-11-oxo-3-tricyclo[6.2.1.02,6]undec-2(6)-enyl]acetate
CID 139040078
Dimethyl 7-propan-2-ylidenebicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 299897
Dimethyl 1,2,3,3a,4,5,5a,6,7,8-decahydro-as-indacene-4,5-dicarboxylate
CID 594619
(1S,4R,8S,11R)-6-oxatetracyclo[9.2.1.02,10.04,8]tetradec-2(10)-ene-5,7-dione
CID 13484349
5,6-Dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
CID 21437389
Dimethyl bicyclo[2.2.1]hept-1(6)-ene-2,3-dicarboxylate
CID 22661623
Diethyl bicyclo[2.2.1]hept-1(6)-ene-2,3-dicarboxylate
CID 23513518
Dipropyl bicyclo[2.2.1]hept-1(6)-ene-2,3-dicarboxylate
CID 69912414
Dimethyl 5-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 70925871
Bis(2-methylpropyl) 5,6-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 70925917

Frequently Asked Questions

What is the IUPAC name of dimethyl tricyclo[6.2.1.02,7]undec-2(7)-ene-4,5-dicarboxylate?
The IUPAC name of dimethyl tricyclo[6.2.1.02,7]undec-2(7)-ene-4,5-dicarboxylate (CID 139714210) is dimethyl tricyclo[6.2.1.02,7]undec-2(7)-ene-4,5-dicarboxylate.
What is the SMILES notation for dimethyl tricyclo[6.2.1.02,7]undec-2(7)-ene-4,5-dicarboxylate?
The canonical SMILES for dimethyl tricyclo[6.2.1.02,7]undec-2(7)-ene-4,5-dicarboxylate is COC(=O)C1CC2=C(CC1C(=O)OC)C1CCC2C1.
What is the InChIKey of dimethyl tricyclo[6.2.1.02,7]undec-2(7)-ene-4,5-dicarboxylate?
The InChIKey is AJKADBVRZAHKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-18-14(16)12-6-10-8-3-4-9(5-8)11(10)7-13(12)15(17)19-2/h8-9,12-13H,3-7H2,1-2H3.
What are the key properties of dimethyl tricyclo[6.2.1.02,7]undec-2(7)-ene-4,5-dicarboxylate?
dimethyl tricyclo[6.2.1.02,7]undec-2(7)-ene-4,5-dicarboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl tricyclo[6.2.1.02,7]undec-2(7)-ene-4,5-dicarboxylate is sourced from PubChem (CID 139714210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).