13-tert-butyl-10,12-dimethyl-11-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene

C19H22O — CID 151062936

IUPAC13-tert-butyl-10,12-dimethyl-11-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene
SMILESCC(C)(C)C1=CC2=C(Cc3ccccc32)C2(C)OC12C
InChIInChI=1S/C19H22O/c1-17(2,3)16-11-14-13-9-7-6-8-12(13)10-15(14)18(4)19(16,5)20-18/h6-9,11H,10H2,1-5H3
InChIKeyMGNXUWGSVOTWFN-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.53
Rot. Bonds

About 13-tert-butyl-10,12-dimethyl-11-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene

13-tert-butyl-10,12-dimethyl-11-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene (PubChem CID 151062936) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 13-tert-butyl-10,12-dimethyl-11-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene.

Molecular Properties

Compound Name13-tert-butyl-10,12-dimethyl-11-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene
PubChem CID151062936
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name13-tert-butyl-10,12-dimethyl-11-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene
SMILESCC(C)(C)C1=CC2=C(Cc3ccccc32)C2(C)OC12C
InChIInChI=1S/C19H22O/c1-17(2,3)16-11-14-13-9-7-6-8-12(13)10-15(14)18(4)19(16,5)20-18/h6-9,11H,10H2,1-5H3
InChIKeyMGNXUWGSVOTWFN-UHFFFAOYSA-N
XLogP4.53
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 13-tert-butyl-10,12-dimethyl-11-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene?
The IUPAC name of 13-tert-butyl-10,12-dimethyl-11-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene (CID 151062936) is 13-tert-butyl-10,12-dimethyl-11-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene.
What is the SMILES notation for 13-tert-butyl-10,12-dimethyl-11-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene?
The canonical SMILES for 13-tert-butyl-10,12-dimethyl-11-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene is CC(C)(C)C1=CC2=C(Cc3ccccc32)C2(C)OC12C.
What is the InChIKey of 13-tert-butyl-10,12-dimethyl-11-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene?
The InChIKey is MGNXUWGSVOTWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-17(2,3)16-11-14-13-9-7-6-8-12(13)10-15(14)18(4)19(16,5)20-18/h6-9,11H,10H2,1-5H3.
What are the key properties of 13-tert-butyl-10,12-dimethyl-11-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene?
13-tert-butyl-10,12-dimethyl-11-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene has a molecular weight of 266.38 g/mol, XLogP of 4.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-tert-butyl-10,12-dimethyl-11-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene is sourced from PubChem (CID 151062936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).