tert-butyl tricyclo[5.2.1.02,6]deca-3,8-diene-8-carboxylate

C15H20O2 — CID 130358672

IUPACtert-butyl tricyclo[5.2.1.02,6]deca-3,8-diene-8-carboxylate
SMILESCC(C)(C)OC(=O)C1=CC2CC1C1CC=CC21
InChIInChI=1S/C15H20O2/c1-15(2,3)17-14(16)13-8-9-7-12(13)11-6-4-5-10(9)11/h4-5,8-12H,6-7H2,1-3H3
InChIKeyREFHQTKSTCAGTH-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.10
Rot. Bonds1

About tert-butyl tricyclo[5.2.1.02,6]deca-3,8-diene-8-carboxylate

tert-butyl tricyclo[5.2.1.02,6]deca-3,8-diene-8-carboxylate (PubChem CID 130358672) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is tert-butyl tricyclo[5.2.1.02,6]deca-3,8-diene-8-carboxylate.

Molecular Properties

Compound Nametert-butyl tricyclo[5.2.1.02,6]deca-3,8-diene-8-carboxylate
PubChem CID130358672
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Nametert-butyl tricyclo[5.2.1.02,6]deca-3,8-diene-8-carboxylate
SMILESCC(C)(C)OC(=O)C1=CC2CC1C1CC=CC21
InChIInChI=1S/C15H20O2/c1-15(2,3)17-14(16)13-8-9-7-12(13)11-6-4-5-10(9)11/h4-5,8-12H,6-7H2,1-3H3
InChIKeyREFHQTKSTCAGTH-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 tert-butyl tricyclo[5.2.1.02,6]deca-3,8-diene-8-carboxylate?
The IUPAC name of tert-butyl tricyclo[5.2.1.02,6]deca-3,8-diene-8-carboxylate (CID 130358672) is tert-butyl tricyclo[5.2.1.02,6]deca-3,8-diene-8-carboxylate.
What is the SMILES notation for tert-butyl tricyclo[5.2.1.02,6]deca-3,8-diene-8-carboxylate?
The canonical SMILES for tert-butyl tricyclo[5.2.1.02,6]deca-3,8-diene-8-carboxylate is CC(C)(C)OC(=O)C1=CC2CC1C1CC=CC21.
What is the InChIKey of tert-butyl tricyclo[5.2.1.02,6]deca-3,8-diene-8-carboxylate?
The InChIKey is REFHQTKSTCAGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-15(2,3)17-14(16)13-8-9-7-12(13)11-6-4-5-10(9)11/h4-5,8-12H,6-7H2,1-3H3.
What are the key properties of tert-butyl tricyclo[5.2.1.02,6]deca-3,8-diene-8-carboxylate?
tert-butyl tricyclo[5.2.1.02,6]deca-3,8-diene-8-carboxylate has a molecular weight of 232.32 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl tricyclo[5.2.1.02,6]deca-3,8-diene-8-carboxylate is sourced from PubChem (CID 130358672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).