dipropan-2-yl 5,6-dimethylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate

C17H24O4 — CID 70926060

IUPACdipropan-2-yl 5,6-dimethylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
SMILESCC1=C(C)C2CC1C(C(=O)OC(C)C)=C2C(=O)OC(C)C
InChIInChI=1S/C17H24O4/c1-8(2)20-16(18)14-12-7-13(11(6)10(12)5)15(14)17(19)21-9(3)4/h8-9,12-13H,7H2,1-6H3
InChIKeyVOWYQETXUWHPTQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.17
Rot. Bonds4

About dipropan-2-yl 5,6-dimethylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate

dipropan-2-yl 5,6-dimethylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate (PubChem CID 70926060) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is dipropan-2-yl 5,6-dimethylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl 5,6-dimethylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
PubChem CID70926060
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Namedipropan-2-yl 5,6-dimethylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
SMILESCC1=C(C)C2CC1C(C(=O)OC(C)C)=C2C(=O)OC(C)C
InChIInChI=1S/C17H24O4/c1-8(2)20-16(18)14-12-7-13(11(6)10(12)5)15(14)17(19)21-9(3)4/h8-9,12-13H,7H2,1-6H3
InChIKeyVOWYQETXUWHPTQ-UHFFFAOYSA-N
XLogP3.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.17
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 dipropan-2-yl 5,6-dimethylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate?
The IUPAC name of dipropan-2-yl 5,6-dimethylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate (CID 70926060) is dipropan-2-yl 5,6-dimethylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate.
What is the SMILES notation for dipropan-2-yl 5,6-dimethylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate?
The canonical SMILES for dipropan-2-yl 5,6-dimethylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate is CC1=C(C)C2CC1C(C(=O)OC(C)C)=C2C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl 5,6-dimethylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate?
The InChIKey is VOWYQETXUWHPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-8(2)20-16(18)14-12-7-13(11(6)10(12)5)15(14)17(19)21-9(3)4/h8-9,12-13H,7H2,1-6H3.
What are the key properties of dipropan-2-yl 5,6-dimethylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate?
dipropan-2-yl 5,6-dimethylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate has a molecular weight of 292.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 5,6-dimethylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate is sourced from PubChem (CID 70926060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).