2-tert-butyl-3-[(E)-4-phenylbut-1-enyl]naphthalene

C24H26 — CID 100923189

IUPAC2-tert-butyl-3-[(E)-4-phenylbut-1-enyl]naphthalene
SMILESCC(C)(C)c1cc2ccccc2cc1/C=C/CCc1ccccc1
InChIInChI=1S/C24H26/c1-24(2,3)23-18-21-15-10-9-14-20(21)17-22(23)16-8-7-13-19-11-5-4-6-12-19/h4-6,8-12,14-18H,7,13H2,1-3H3/b16-8+
InChIKeyAXCRBSYBKSXBMZ-LZYBPNLTSA-N
MW314.47 g/mol
LogP6.78
Rot. Bonds4

About 2-tert-butyl-3-[(E)-4-phenylbut-1-enyl]naphthalene

2-tert-butyl-3-[(E)-4-phenylbut-1-enyl]naphthalene (PubChem CID 100923189) has the molecular formula C24H26 and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-tert-butyl-3-[(E)-4-phenylbut-1-enyl]naphthalene.

Molecular Properties

Compound Name2-tert-butyl-3-[(E)-4-phenylbut-1-enyl]naphthalene
PubChem CID100923189
Molecular FormulaC24H26
Molecular Weight314.47 g/mol
Exact Mass314.20
IUPAC Name2-tert-butyl-3-[(E)-4-phenylbut-1-enyl]naphthalene
SMILESCC(C)(C)c1cc2ccccc2cc1/C=C/CCc1ccccc1
InChIInChI=1S/C24H26/c1-24(2,3)23-18-21-15-10-9-14-20(21)17-22(23)16-8-7-13-19-11-5-4-6-12-19/h4-6,8-12,14-18H,7,13H2,1-3H3/b16-8+
InChIKeyAXCRBSYBKSXBMZ-LZYBPNLTSA-N
XLogP6.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-[(E)-4-phenylbut-1-enyl]naphthalene?
The IUPAC name of 2-tert-butyl-3-[(E)-4-phenylbut-1-enyl]naphthalene (CID 100923189) is 2-tert-butyl-3-[(E)-4-phenylbut-1-enyl]naphthalene.
What is the SMILES notation for 2-tert-butyl-3-[(E)-4-phenylbut-1-enyl]naphthalene?
The canonical SMILES for 2-tert-butyl-3-[(E)-4-phenylbut-1-enyl]naphthalene is CC(C)(C)c1cc2ccccc2cc1/C=C/CCc1ccccc1.
What is the InChIKey of 2-tert-butyl-3-[(E)-4-phenylbut-1-enyl]naphthalene?
The InChIKey is AXCRBSYBKSXBMZ-LZYBPNLTSA-N. The full InChI is InChI=1S/C24H26/c1-24(2,3)23-18-21-15-10-9-14-20(21)17-22(23)16-8-7-13-19-11-5-4-6-12-19/h4-6,8-12,14-18H,7,13H2,1-3H3/b16-8+.
What are the key properties of 2-tert-butyl-3-[(E)-4-phenylbut-1-enyl]naphthalene?
2-tert-butyl-3-[(E)-4-phenylbut-1-enyl]naphthalene has a molecular weight of 314.47 g/mol, XLogP of 6.78, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-[(E)-4-phenylbut-1-enyl]naphthalene is sourced from PubChem (CID 100923189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).