4-tert-butyl-2-[(E)-2,3-dimethyl-1-phenylpent-3-en-2-yl]-1-methylbenzene

C24H32 — CID 143624502

IUPAC4-tert-butyl-2-[(E)-2,3-dimethyl-1-phenylpent-3-en-2-yl]-1-methylbenzene
SMILESC/C=C(\C)C(C)(Cc1ccccc1)c1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C24H32/c1-8-19(3)24(7,17-20-12-10-9-11-13-20)22-16-21(23(4,5)6)15-14-18(22)2/h8-16H,17H2,1-7H3/b19-8+
InChIKeyTVXTYOAJCTYKLV-UFWORHAWSA-N
MW320.52 g/mol
LogP6.76
Rot. Bonds4

About 4-tert-butyl-2-[(E)-2,3-dimethyl-1-phenylpent-3-en-2-yl]-1-methylbenzene

4-tert-butyl-2-[(E)-2,3-dimethyl-1-phenylpent-3-en-2-yl]-1-methylbenzene (PubChem CID 143624502) has the molecular formula C24H32 and a molecular weight of 320.52 g/mol. Its IUPAC name is 4-tert-butyl-2-[(E)-2,3-dimethyl-1-phenylpent-3-en-2-yl]-1-methylbenzene.

Molecular Properties

Compound Name4-tert-butyl-2-[(E)-2,3-dimethyl-1-phenylpent-3-en-2-yl]-1-methylbenzene
PubChem CID143624502
Molecular FormulaC24H32
Molecular Weight320.52 g/mol
Exact Mass320.25
IUPAC Name4-tert-butyl-2-[(E)-2,3-dimethyl-1-phenylpent-3-en-2-yl]-1-methylbenzene
SMILESC/C=C(\C)C(C)(Cc1ccccc1)c1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C24H32/c1-8-19(3)24(7,17-20-12-10-9-11-13-20)22-16-21(23(4,5)6)15-14-18(22)2/h8-16H,17H2,1-7H3/b19-8+
InChIKeyTVXTYOAJCTYKLV-UFWORHAWSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.52
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-4-(2,2-dibenzyl-3-phenylpropyl)benzene
CID 101188647
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CID 143472001
2-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-2-ol
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4-(5-tert-butyl-2-methylphenyl)-4-methylpentan-2-one
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(2-methyl-1-oxo-3-phenylpropan-2-yl)carbamic acid
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acetic acid;2-methyl-2,3-diphenylpropanal
CID 174946322
2-(4-cyanophenyl)-2-methyl-3-phenylpropanoic acid
CID 117048107
2-methyl-2-naphthalen-2-yl-3-phenylpropanoyl chloride
CID 117048269
N-[(2R)-2-methyl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 54371011
2,2-dimethylpropylbenzene;methanol
CID 157125736
N-[2-(5-tert-butyl-2-methylphenyl)-2-methylpropyl]acetamide
CID 115191413
ethyl 2-(4-cyanophenyl)-2-methyl-3-phenylpropanoate
CID 117048143

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(E)-2,3-dimethyl-1-phenylpent-3-en-2-yl]-1-methylbenzene?
The IUPAC name of 4-tert-butyl-2-[(E)-2,3-dimethyl-1-phenylpent-3-en-2-yl]-1-methylbenzene (CID 143624502) is 4-tert-butyl-2-[(E)-2,3-dimethyl-1-phenylpent-3-en-2-yl]-1-methylbenzene.
What is the SMILES notation for 4-tert-butyl-2-[(E)-2,3-dimethyl-1-phenylpent-3-en-2-yl]-1-methylbenzene?
The canonical SMILES for 4-tert-butyl-2-[(E)-2,3-dimethyl-1-phenylpent-3-en-2-yl]-1-methylbenzene is C/C=C(\C)C(C)(Cc1ccccc1)c1cc(C(C)(C)C)ccc1C.
What is the InChIKey of 4-tert-butyl-2-[(E)-2,3-dimethyl-1-phenylpent-3-en-2-yl]-1-methylbenzene?
The InChIKey is TVXTYOAJCTYKLV-UFWORHAWSA-N. The full InChI is InChI=1S/C24H32/c1-8-19(3)24(7,17-20-12-10-9-11-13-20)22-16-21(23(4,5)6)15-14-18(22)2/h8-16H,17H2,1-7H3/b19-8+.
What are the key properties of 4-tert-butyl-2-[(E)-2,3-dimethyl-1-phenylpent-3-en-2-yl]-1-methylbenzene?
4-tert-butyl-2-[(E)-2,3-dimethyl-1-phenylpent-3-en-2-yl]-1-methylbenzene has a molecular weight of 320.52 g/mol, XLogP of 6.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(E)-2,3-dimethyl-1-phenylpent-3-en-2-yl]-1-methylbenzene is sourced from PubChem (CID 143624502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).