bis(prop-2-enyl) (1R,2S,3S,4R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

C15H18O4 — CID 98168327

IUPACbis(prop-2-enyl) (1R,2S,3S,4R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
SMILESC=CCOC(=O)[C@@H]1[C@@H](C(=O)OCC=C)[C@H]2C=C[C@H]1C2
InChIInChI=1S/C15H18O4/c1-3-7-18-14(16)12-10-5-6-11(9-10)13(12)15(17)19-8-4-2/h3-6,10-13H,1-2,7-9H2/t10-,11-,12-,13-/m0/s1
InChIKeyGSJILIBJNYDORI-CYDGBPFRSA-N
MW262.30 g/mol
LogP1.88
Rot. Bonds6

About bis(prop-2-enyl) (1R,2S,3S,4R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

bis(prop-2-enyl) (1R,2S,3S,4R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate (PubChem CID 98168327) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is bis(prop-2-enyl) (1R,2S,3S,4R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate.

Molecular Properties

Compound Namebis(prop-2-enyl) (1R,2S,3S,4R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
PubChem CID98168327
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Namebis(prop-2-enyl) (1R,2S,3S,4R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
SMILESC=CCOC(=O)[C@@H]1[C@@H](C(=O)OCC=C)[C@H]2C=C[C@H]1C2
InChIInChI=1S/C15H18O4/c1-3-7-18-14(16)12-10-5-6-11(9-10)13(12)15(17)19-8-4-2/h3-6,10-13H,1-2,7-9H2/t10-,11-,12-,13-/m0/s1
InChIKeyGSJILIBJNYDORI-CYDGBPFRSA-N
XLogP1.88
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) (1R,2S,3S,4R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
The IUPAC name of bis(prop-2-enyl) (1R,2S,3S,4R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate (CID 98168327) is bis(prop-2-enyl) (1R,2S,3S,4R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate.
What is the SMILES notation for bis(prop-2-enyl) (1R,2S,3S,4R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
The canonical SMILES for bis(prop-2-enyl) (1R,2S,3S,4R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate is C=CCOC(=O)[C@@H]1[C@@H](C(=O)OCC=C)[C@H]2C=C[C@H]1C2.
What is the InChIKey of bis(prop-2-enyl) (1R,2S,3S,4R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
The InChIKey is GSJILIBJNYDORI-CYDGBPFRSA-N. The full InChI is InChI=1S/C15H18O4/c1-3-7-18-14(16)12-10-5-6-11(9-10)13(12)15(17)19-8-4-2/h3-6,10-13H,1-2,7-9H2/t10-,11-,12-,13-/m0/s1.
What are the key properties of bis(prop-2-enyl) (1R,2S,3S,4R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
bis(prop-2-enyl) (1R,2S,3S,4R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate has a molecular weight of 262.30 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) (1R,2S,3S,4R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate is sourced from PubChem (CID 98168327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).