(1Z)-4-tert-butyl-9-ethenyl-1-propylidenephenalene

C22H24 — CID 143295398

IUPAC(1Z)-4-tert-butyl-9-ethenyl-1-propylidenephenalene
SMILESC=Cc1ccc2ccc(C(C)(C)C)c3cc/c(=C/CC)c1c23
InChIInChI=1S/C22H24/c1-6-8-16-11-13-18-19(22(3,4)5)14-12-17-10-9-15(7-2)20(16)21(17)18/h7-14H,2,6H2,1,3-5H3/b16-8-
InChIKeyYVJMGPIJOYHYKA-PXNMLYILSA-N
MW288.43 g/mol
LogP5.84
Rot. Bonds2

About (1Z)-4-tert-butyl-9-ethenyl-1-propylidenephenalene

(1Z)-4-tert-butyl-9-ethenyl-1-propylidenephenalene (PubChem CID 143295398) has the molecular formula C22H24 and a molecular weight of 288.43 g/mol. Its IUPAC name is (1Z)-4-tert-butyl-9-ethenyl-1-propylidenephenalene.

Molecular Properties

Compound Name(1Z)-4-tert-butyl-9-ethenyl-1-propylidenephenalene
PubChem CID143295398
Molecular FormulaC22H24
Molecular Weight288.43 g/mol
Exact Mass288.19
IUPAC Name(1Z)-4-tert-butyl-9-ethenyl-1-propylidenephenalene
SMILESC=Cc1ccc2ccc(C(C)(C)C)c3cc/c(=C/CC)c1c23
InChIInChI=1S/C22H24/c1-6-8-16-11-13-18-19(22(3,4)5)14-12-17-10-9-15(7-2)20(16)21(17)18/h7-14H,2,6H2,1,3-5H3/b16-8-
InChIKeyYVJMGPIJOYHYKA-PXNMLYILSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1Z)-4-tert-butyl-9-ethenyl-1-propylidenephenalene?
The IUPAC name of (1Z)-4-tert-butyl-9-ethenyl-1-propylidenephenalene (CID 143295398) is (1Z)-4-tert-butyl-9-ethenyl-1-propylidenephenalene.
What is the SMILES notation for (1Z)-4-tert-butyl-9-ethenyl-1-propylidenephenalene?
The canonical SMILES for (1Z)-4-tert-butyl-9-ethenyl-1-propylidenephenalene is C=Cc1ccc2ccc(C(C)(C)C)c3cc/c(=C/CC)c1c23.
What is the InChIKey of (1Z)-4-tert-butyl-9-ethenyl-1-propylidenephenalene?
The InChIKey is YVJMGPIJOYHYKA-PXNMLYILSA-N. The full InChI is InChI=1S/C22H24/c1-6-8-16-11-13-18-19(22(3,4)5)14-12-17-10-9-15(7-2)20(16)21(17)18/h7-14H,2,6H2,1,3-5H3/b16-8-.
What are the key properties of (1Z)-4-tert-butyl-9-ethenyl-1-propylidenephenalene?
(1Z)-4-tert-butyl-9-ethenyl-1-propylidenephenalene has a molecular weight of 288.43 g/mol, XLogP of 5.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-4-tert-butyl-9-ethenyl-1-propylidenephenalene is sourced from PubChem (CID 143295398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).