dipropyl 2-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

C16H24O4 — CID 141186874

IUPACdipropyl 2-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
SMILESCCCOC(=O)C1C2C=CC(C2)C1(C)C(=O)OCCC
InChIInChI=1S/C16H24O4/c1-4-8-19-14(17)13-11-6-7-12(10-11)16(13,3)15(18)20-9-5-2/h6-7,11-13H,4-5,8-10H2,1-3H3
InChIKeyDJPFYUHBDHBKEL-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.72
Rot. Bonds6

About dipropyl 2-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

dipropyl 2-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate (PubChem CID 141186874) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is dipropyl 2-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate.

Molecular Properties

Compound Namedipropyl 2-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
PubChem CID141186874
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Namedipropyl 2-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
SMILESCCCOC(=O)C1C2C=CC(C2)C1(C)C(=O)OCCC
InChIInChI=1S/C16H24O4/c1-4-8-19-14(17)13-11-6-7-12(10-11)16(13,3)15(18)20-9-5-2/h6-7,11-13H,4-5,8-10H2,1-3H3
InChIKeyDJPFYUHBDHBKEL-UHFFFAOYSA-N
XLogP2.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dipropyl 2-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dipropyl 2-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
The IUPAC name of dipropyl 2-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate (CID 141186874) is dipropyl 2-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate.
What is the SMILES notation for dipropyl 2-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
The canonical SMILES for dipropyl 2-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate is CCCOC(=O)C1C2C=CC(C2)C1(C)C(=O)OCCC.
What is the InChIKey of dipropyl 2-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
The InChIKey is DJPFYUHBDHBKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-4-8-19-14(17)13-11-6-7-12(10-11)16(13,3)15(18)20-9-5-2/h6-7,11-13H,4-5,8-10H2,1-3H3.
What are the key properties of dipropyl 2-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
dipropyl 2-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate has a molecular weight of 280.36 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl 2-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate is sourced from PubChem (CID 141186874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).