1-tert-butyl-2-(2-tert-butyl-5-methyl-4-pentylphenyl)-4-methyl-5-pentylbenzene

C32H50 — CID 175044854

IUPAC1-tert-butyl-2-(2-tert-butyl-5-methyl-4-pentylphenyl)-4-methyl-5-pentylbenzene
SMILESCCCCCc1cc(C(C)(C)C)c(-c2cc(C)c(CCCCC)cc2C(C)(C)C)cc1C
InChIInChI=1S/C32H50/c1-11-13-15-17-25-21-29(31(5,6)7)27(19-23(25)3)28-20-24(4)26(18-16-14-12-2)22-30(28)32(8,9)10/h19-22H,11-18H2,1-10H3
InChIKeyWEWYLYUUAJEOJT-UHFFFAOYSA-N
MW434.75 g/mol
LogP10.03
Rot. Bonds9

About 1-tert-butyl-2-(2-tert-butyl-5-methyl-4-pentylphenyl)-4-methyl-5-pentylbenzene

1-tert-butyl-2-(2-tert-butyl-5-methyl-4-pentylphenyl)-4-methyl-5-pentylbenzene (PubChem CID 175044854) has the molecular formula C32H50 and a molecular weight of 434.75 g/mol. Its IUPAC name is 1-tert-butyl-2-(2-tert-butyl-5-methyl-4-pentylphenyl)-4-methyl-5-pentylbenzene.

Molecular Properties

Compound Name1-tert-butyl-2-(2-tert-butyl-5-methyl-4-pentylphenyl)-4-methyl-5-pentylbenzene
PubChem CID175044854
Molecular FormulaC32H50
Molecular Weight434.75 g/mol
Exact Mass434.39
IUPAC Name1-tert-butyl-2-(2-tert-butyl-5-methyl-4-pentylphenyl)-4-methyl-5-pentylbenzene
SMILESCCCCCc1cc(C(C)(C)C)c(-c2cc(C)c(CCCCC)cc2C(C)(C)C)cc1C
InChIInChI=1S/C32H50/c1-11-13-15-17-25-21-29(31(5,6)7)27(19-23(25)3)28-20-24(4)26(18-16-14-12-2)22-30(28)32(8,9)10/h19-22H,11-18H2,1-10H3
InChIKeyWEWYLYUUAJEOJT-UHFFFAOYSA-N
XLogP10.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.75
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-ditert-butyl-4-octylphenyl)phenol
CID 159042463
6-tert-butyl-3-methyl-2,4-dioctylphenol
CID 139902763
2-tert-butyl-4-methyl-6-pentylphenol
CID 58210348
2,4-dimethyl-5-pentadecylphenol
CID 166008290
2-tert-butyl-4-(3-hydroxypropyl)-5-methylphenol
CID 117318740
2-tert-butyl-5-methyl-4-(9-sulfanyldodecyl)phenol
CID 139881073
dodecyl 3-(5-tert-butyl-4-hydroxy-2-methylphenyl)propanoate
CID 21446624
1-butyl-5-ethyl-2,4-dimethylbenzene
CID 155667588
1,3-ditert-butyl-2-tridecylbenzene
CID 56637291
(2,5-ditert-butyl-4-octylphenyl) dihydrogen phosphite
CID 150612862
2-tert-butyl-4-[4-(5-tert-butyl-4-hydroxy-2-methylphenyl)heptadecyl]-5-methylphenol;dihydroxyphosphanyl dihydrogen phosphite
CID 157394982
2-amino-5-methyl-4-nonylphenol
CID 139643471

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(2-tert-butyl-5-methyl-4-pentylphenyl)-4-methyl-5-pentylbenzene?
The IUPAC name of 1-tert-butyl-2-(2-tert-butyl-5-methyl-4-pentylphenyl)-4-methyl-5-pentylbenzene (CID 175044854) is 1-tert-butyl-2-(2-tert-butyl-5-methyl-4-pentylphenyl)-4-methyl-5-pentylbenzene.
What is the SMILES notation for 1-tert-butyl-2-(2-tert-butyl-5-methyl-4-pentylphenyl)-4-methyl-5-pentylbenzene?
The canonical SMILES for 1-tert-butyl-2-(2-tert-butyl-5-methyl-4-pentylphenyl)-4-methyl-5-pentylbenzene is CCCCCc1cc(C(C)(C)C)c(-c2cc(C)c(CCCCC)cc2C(C)(C)C)cc1C.
What is the InChIKey of 1-tert-butyl-2-(2-tert-butyl-5-methyl-4-pentylphenyl)-4-methyl-5-pentylbenzene?
The InChIKey is WEWYLYUUAJEOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50/c1-11-13-15-17-25-21-29(31(5,6)7)27(19-23(25)3)28-20-24(4)26(18-16-14-12-2)22-30(28)32(8,9)10/h19-22H,11-18H2,1-10H3.
What are the key properties of 1-tert-butyl-2-(2-tert-butyl-5-methyl-4-pentylphenyl)-4-methyl-5-pentylbenzene?
1-tert-butyl-2-(2-tert-butyl-5-methyl-4-pentylphenyl)-4-methyl-5-pentylbenzene has a molecular weight of 434.75 g/mol, XLogP of 10.03, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(2-tert-butyl-5-methyl-4-pentylphenyl)-4-methyl-5-pentylbenzene is sourced from PubChem (CID 175044854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).