dipropan-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

C15H22O4 — CID 14563507

IUPACdipropan-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
SMILESCC(C)OC(=O)C1C2C=CC(C2)C1C(=O)OC(C)C
InChIInChI=1S/C15H22O4/c1-8(2)18-14(16)12-10-5-6-11(7-10)13(12)15(17)19-9(3)4/h5-6,8-13H,7H2,1-4H3
InChIKeyOHFNLCXHRLZKOH-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.33
Rot. Bonds4

About dipropan-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

dipropan-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate (PubChem CID 14563507) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is dipropan-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
PubChem CID14563507
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Namedipropan-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
SMILESCC(C)OC(=O)C1C2C=CC(C2)C1C(=O)OC(C)C
InChIInChI=1S/C15H22O4/c1-8(2)18-14(16)12-10-5-6-11(7-10)13(12)15(17)19-9(3)4/h5-6,8-13H,7H2,1-4H3
InChIKeyOHFNLCXHRLZKOH-UHFFFAOYSA-N
XLogP2.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
The IUPAC name of dipropan-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate (CID 14563507) is dipropan-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate.
What is the SMILES notation for dipropan-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
The canonical SMILES for dipropan-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate is CC(C)OC(=O)C1C2C=CC(C2)C1C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
The InChIKey is OHFNLCXHRLZKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-8(2)18-14(16)12-10-5-6-11(7-10)13(12)15(17)19-9(3)4/h5-6,8-13H,7H2,1-4H3.
What are the key properties of dipropan-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
dipropan-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate is sourced from PubChem (CID 14563507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).