tert-butyl 10-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,11,13-pentaene-6-carboxylate

C20H22O3 — CID 150764271

IUPACtert-butyl 10-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,11,13-pentaene-6-carboxylate
SMILESCC(C)(C)OC(=O)C1C=CC2=C(CC(=O)c3ccccc3C2)C1
InChIInChI=1S/C20H22O3/c1-20(2,3)23-19(22)15-9-8-13-10-14-6-4-5-7-17(14)18(21)12-16(13)11-15/h4-9,15H,10-12H2,1-3H3
InChIKeyJYMGMRVLXBVKEX-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.03
Rot. Bonds1

About tert-butyl 10-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,11,13-pentaene-6-carboxylate

tert-butyl 10-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,11,13-pentaene-6-carboxylate (PubChem CID 150764271) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is tert-butyl 10-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,11,13-pentaene-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 10-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,11,13-pentaene-6-carboxylate
PubChem CID150764271
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Nametert-butyl 10-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,11,13-pentaene-6-carboxylate
SMILESCC(C)(C)OC(=O)C1C=CC2=C(CC(=O)c3ccccc3C2)C1
InChIInChI=1S/C20H22O3/c1-20(2,3)23-19(22)15-9-8-13-10-14-6-4-5-7-17(14)18(21)12-16(13)11-15/h4-9,15H,10-12H2,1-3H3
InChIKeyJYMGMRVLXBVKEX-UHFFFAOYSA-N
XLogP4.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 10-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,11,13-pentaene-6-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 10-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,11,13-pentaene-6-carboxylate?
The IUPAC name of tert-butyl 10-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,11,13-pentaene-6-carboxylate (CID 150764271) is tert-butyl 10-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,11,13-pentaene-6-carboxylate.
What is the SMILES notation for tert-butyl 10-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,11,13-pentaene-6-carboxylate?
The canonical SMILES for tert-butyl 10-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,11,13-pentaene-6-carboxylate is CC(C)(C)OC(=O)C1C=CC2=C(CC(=O)c3ccccc3C2)C1.
What is the InChIKey of tert-butyl 10-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,11,13-pentaene-6-carboxylate?
The InChIKey is JYMGMRVLXBVKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-20(2,3)23-19(22)15-9-8-13-10-14-6-4-5-7-17(14)18(21)12-16(13)11-15/h4-9,15H,10-12H2,1-3H3.
What are the key properties of tert-butyl 10-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,11,13-pentaene-6-carboxylate?
tert-butyl 10-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,11,13-pentaene-6-carboxylate has a molecular weight of 310.39 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 10-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,11,13-pentaene-6-carboxylate is sourced from PubChem (CID 150764271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).