1-[1-[2,4-bis(4-methylphenyl)butyl]-4-methylpent-4-enyl]-4-methylbenzene

C31H38 — CID 570778

IUPAC1-[1-[2,4-bis(4-methylphenyl)butyl]-4-methylpent-4-enyl]-4-methylbenzene
SMILESC=C(C)CCC(CC(CCc1ccc(C)cc1)c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C31H38/c1-23(2)6-16-30(28-17-9-25(4)10-18-28)22-31(29-19-11-26(5)12-20-29)21-15-27-13-7-24(3)8-14-27/h7-14,17-20,30-31H,1,6,15-16,21-22H2,2-5H3
InChIKeyUWTRSFPCXUXUJI-UHFFFAOYSA-N
MW410.65 g/mol
LogP8.86
Rot. Bonds10

About 1-[1-[2,4-bis(4-methylphenyl)butyl]-4-methylpent-4-enyl]-4-methylbenzene

1-[1-[2,4-bis(4-methylphenyl)butyl]-4-methylpent-4-enyl]-4-methylbenzene (PubChem CID 570778) has the molecular formula C31H38 and a molecular weight of 410.65 g/mol. Its IUPAC name is 1-[1-[2,4-bis(4-methylphenyl)butyl]-4-methylpent-4-enyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[1-[2,4-bis(4-methylphenyl)butyl]-4-methylpent-4-enyl]-4-methylbenzene
PubChem CID570778
Molecular FormulaC31H38
Molecular Weight410.65 g/mol
Exact Mass410.30
IUPAC Name1-[1-[2,4-bis(4-methylphenyl)butyl]-4-methylpent-4-enyl]-4-methylbenzene
SMILESC=C(C)CCC(CC(CCc1ccc(C)cc1)c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C31H38/c1-23(2)6-16-30(28-17-9-25(4)10-18-28)22-31(29-19-11-26(5)12-20-29)21-15-27-13-7-24(3)8-14-27/h7-14,17-20,30-31H,1,6,15-16,21-22H2,2-5H3
InChIKeyUWTRSFPCXUXUJI-UHFFFAOYSA-N
XLogP8.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.65
LogP ≤ 58.86
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

6-methyl-1-(4-methylphenyl)-N-propylhept-6-en-3-amine
CID 105182618
2-methyl-5-(4-methylphenyl)pent-1-en-3-ol
CID 105110468
[4-methyl-1-(4-methylphenyl)pent-4-enyl]hydrazine
CID 105194324
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 105084361
[2-methyl-5-(4-methylphenyl)pent-1-en-3-yl]hydrazine
CID 105319999
1-(3-methylbut-3-enyl)-4-prop-1-en-2-ylbenzene
CID 143231860
N-ethyl-2-methyl-5-(4-methylphenyl)pent-1-en-3-amine
CID 105163729
5-methylidene-1-(4-methylphenyl)heptan-3-amine
CID 105164109
(3S)-2,6-dimethyl-N-[1-(4-methylphenyl)ethenyl]hepta-1,6-dien-3-amine
CID 170007341
2-methyl-5-(4-methylphenyl)pent-1-en-3-one
CID 105113096
1-(3,3-difluoropropyl)-4-methylbenzene
CID 142361339
1-methyl-4-(3-methylidenepentyl)benzene
CID 18956749

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2,4-bis(4-methylphenyl)butyl]-4-methylpent-4-enyl]-4-methylbenzene?
The IUPAC name of 1-[1-[2,4-bis(4-methylphenyl)butyl]-4-methylpent-4-enyl]-4-methylbenzene (CID 570778) is 1-[1-[2,4-bis(4-methylphenyl)butyl]-4-methylpent-4-enyl]-4-methylbenzene.
What is the SMILES notation for 1-[1-[2,4-bis(4-methylphenyl)butyl]-4-methylpent-4-enyl]-4-methylbenzene?
The canonical SMILES for 1-[1-[2,4-bis(4-methylphenyl)butyl]-4-methylpent-4-enyl]-4-methylbenzene is C=C(C)CCC(CC(CCc1ccc(C)cc1)c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of 1-[1-[2,4-bis(4-methylphenyl)butyl]-4-methylpent-4-enyl]-4-methylbenzene?
The InChIKey is UWTRSFPCXUXUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38/c1-23(2)6-16-30(28-17-9-25(4)10-18-28)22-31(29-19-11-26(5)12-20-29)21-15-27-13-7-24(3)8-14-27/h7-14,17-20,30-31H,1,6,15-16,21-22H2,2-5H3.
What are the key properties of 1-[1-[2,4-bis(4-methylphenyl)butyl]-4-methylpent-4-enyl]-4-methylbenzene?
1-[1-[2,4-bis(4-methylphenyl)butyl]-4-methylpent-4-enyl]-4-methylbenzene has a molecular weight of 410.65 g/mol, XLogP of 8.86, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2,4-bis(4-methylphenyl)butyl]-4-methylpent-4-enyl]-4-methylbenzene is sourced from PubChem (CID 570778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).