8-O-tert-butyl 2-O-methyl bicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate

C15H22O4 — CID 154455551

IUPAC8-O-tert-butyl 2-O-methyl bicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate
SMILESCOC(=O)C1=CCC2CCC1C2C(=O)OC(C)(C)C
InChIInChI=1S/C15H22O4/c1-15(2,3)19-14(17)12-9-5-7-10(12)11(8-6-9)13(16)18-4/h8-10,12H,5-7H2,1-4H3
InChIKeyPRIRYOCDPBEAIM-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.47
Rot. Bonds2

About 8-O-tert-butyl 2-O-methyl bicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate

8-O-tert-butyl 2-O-methyl bicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate (PubChem CID 154455551) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 8-O-tert-butyl 2-O-methyl bicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate.

Molecular Properties

Compound Name8-O-tert-butyl 2-O-methyl bicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate
PubChem CID154455551
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name8-O-tert-butyl 2-O-methyl bicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate
SMILESCOC(=O)C1=CCC2CCC1C2C(=O)OC(C)(C)C
InChIInChI=1S/C15H22O4/c1-15(2,3)19-14(17)12-9-5-7-10(12)11(8-6-9)13(16)18-4/h8-10,12H,5-7H2,1-4H3
InChIKeyPRIRYOCDPBEAIM-UHFFFAOYSA-N
XLogP2.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-O-tert-butyl 2-O-methyl bicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate?
The IUPAC name of 8-O-tert-butyl 2-O-methyl bicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate (CID 154455551) is 8-O-tert-butyl 2-O-methyl bicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate.
What is the SMILES notation for 8-O-tert-butyl 2-O-methyl bicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate?
The canonical SMILES for 8-O-tert-butyl 2-O-methyl bicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate is COC(=O)C1=CCC2CCC1C2C(=O)OC(C)(C)C.
What is the InChIKey of 8-O-tert-butyl 2-O-methyl bicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate?
The InChIKey is PRIRYOCDPBEAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-15(2,3)19-14(17)12-9-5-7-10(12)11(8-6-9)13(16)18-4/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 8-O-tert-butyl 2-O-methyl bicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate?
8-O-tert-butyl 2-O-methyl bicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-O-tert-butyl 2-O-methyl bicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate is sourced from PubChem (CID 154455551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).