7-tert-butyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene

C15H16O — CID 176640618

IUPAC7-tert-butyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene
SMILESCC(C)(C)c1ccc2c3c(cccc13)OC2
InChIInChI=1S/C15H16O/c1-15(2,3)12-8-7-10-9-16-13-6-4-5-11(12)14(10)13/h4-8H,9H2,1-3H3
InChIKeyPGRCTGCYUZKCFX-UHFFFAOYSA-N
MW212.29 g/mol
LogP4.03
Rot. Bonds

About 7-tert-butyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene

7-tert-butyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene (PubChem CID 176640618) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 7-tert-butyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene.

Molecular Properties

Compound Name7-tert-butyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene
PubChem CID176640618
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name7-tert-butyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene
SMILESCC(C)(C)c1ccc2c3c(cccc13)OC2
InChIInChI=1S/C15H16O/c1-15(2,3)12-8-7-10-9-16-13-6-4-5-11(12)14(10)13/h4-8H,9H2,1-3H3
InChIKeyPGRCTGCYUZKCFX-UHFFFAOYSA-N
XLogP4.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene?
The IUPAC name of 7-tert-butyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene (CID 176640618) is 7-tert-butyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene.
What is the SMILES notation for 7-tert-butyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene?
The canonical SMILES for 7-tert-butyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene is CC(C)(C)c1ccc2c3c(cccc13)OC2.
What is the InChIKey of 7-tert-butyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene?
The InChIKey is PGRCTGCYUZKCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-15(2,3)12-8-7-10-9-16-13-6-4-5-11(12)14(10)13/h4-8H,9H2,1-3H3.
What are the key properties of 7-tert-butyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene?
7-tert-butyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene has a molecular weight of 212.29 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene is sourced from PubChem (CID 176640618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).