2-[(E)-3-phenylprop-2-enyl]-1,3,5-tri(propan-2-yl)benzene

C24H32 — CID 102406113

IUPAC2-[(E)-3-phenylprop-2-enyl]-1,3,5-tri(propan-2-yl)benzene
SMILESCC(C)c1cc(C(C)C)c(C/C=C/c2ccccc2)c(C(C)C)c1
InChIInChI=1S/C24H32/c1-17(2)21-15-23(18(3)4)22(24(16-21)19(5)6)14-10-13-20-11-8-7-9-12-20/h7-13,15-19H,14H2,1-6H3/b13-10+
InChIKeyGAGDBLFVHMIUQL-JLHYYAGUSA-N
MW320.52 g/mol
LogP7.31
Rot. Bonds6

About 2-[(E)-3-phenylprop-2-enyl]-1,3,5-tri(propan-2-yl)benzene

2-[(E)-3-phenylprop-2-enyl]-1,3,5-tri(propan-2-yl)benzene (PubChem CID 102406113) has the molecular formula C24H32 and a molecular weight of 320.52 g/mol. Its IUPAC name is 2-[(E)-3-phenylprop-2-enyl]-1,3,5-tri(propan-2-yl)benzene.

Molecular Properties

Compound Name2-[(E)-3-phenylprop-2-enyl]-1,3,5-tri(propan-2-yl)benzene
PubChem CID102406113
Molecular FormulaC24H32
Molecular Weight320.52 g/mol
Exact Mass320.25
IUPAC Name2-[(E)-3-phenylprop-2-enyl]-1,3,5-tri(propan-2-yl)benzene
SMILESCC(C)c1cc(C(C)C)c(C/C=C/c2ccccc2)c(C(C)C)c1
InChIInChI=1S/C24H32/c1-17(2)21-15-23(18(3)4)22(24(16-21)19(5)6)14-10-13-20-11-8-7-9-12-20/h7-13,15-19H,14H2,1-6H3/b13-10+
InChIKeyGAGDBLFVHMIUQL-JLHYYAGUSA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.52
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[(E)-2-phenylethenyl]sulfonyl-1,3,5-tri(propan-2-yl)benzene
CID 5382407
triphenyl-[[2,4,6-tri(propan-2-yl)phenyl]methyl]phosphanium
CID 86735896
1-(2-phenylethenyl)-4-propan-2-ylbenzene
CID 53397765
(E)-5-phenylpent-4-en-2-amine
CID 55254237
9-methyl-10-(3-phenylprop-2-enyl)anthracene
CID 156901579
ethane;[(E)-3-phenylprop-1-enyl]benzene
CID 143041114
2-(4-phenylphenyl)-1,3,5-tri(propan-2-yl)benzene
CID 151062491
[(E,2R)-5-phenylpent-4-en-2-yl]benzene
CID 102293607
1-phenyl-2-[2,4,6-tri(propan-2-yl)phenyl]ethanone
CID 13297027
N-[(E,3S)-1-phenylpent-1-en-3-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 11339354
4-chloropent-1-enylbenzene
CID 66808272
3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]phenol
CID 162361453

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-phenylprop-2-enyl]-1,3,5-tri(propan-2-yl)benzene?
The IUPAC name of 2-[(E)-3-phenylprop-2-enyl]-1,3,5-tri(propan-2-yl)benzene (CID 102406113) is 2-[(E)-3-phenylprop-2-enyl]-1,3,5-tri(propan-2-yl)benzene.
What is the SMILES notation for 2-[(E)-3-phenylprop-2-enyl]-1,3,5-tri(propan-2-yl)benzene?
The canonical SMILES for 2-[(E)-3-phenylprop-2-enyl]-1,3,5-tri(propan-2-yl)benzene is CC(C)c1cc(C(C)C)c(C/C=C/c2ccccc2)c(C(C)C)c1.
What is the InChIKey of 2-[(E)-3-phenylprop-2-enyl]-1,3,5-tri(propan-2-yl)benzene?
The InChIKey is GAGDBLFVHMIUQL-JLHYYAGUSA-N. The full InChI is InChI=1S/C24H32/c1-17(2)21-15-23(18(3)4)22(24(16-21)19(5)6)14-10-13-20-11-8-7-9-12-20/h7-13,15-19H,14H2,1-6H3/b13-10+.
What are the key properties of 2-[(E)-3-phenylprop-2-enyl]-1,3,5-tri(propan-2-yl)benzene?
2-[(E)-3-phenylprop-2-enyl]-1,3,5-tri(propan-2-yl)benzene has a molecular weight of 320.52 g/mol, XLogP of 7.31, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-phenylprop-2-enyl]-1,3,5-tri(propan-2-yl)benzene is sourced from PubChem (CID 102406113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).