1,5-ditert-butyl-2-[3-(2,4-ditert-butyl-6-methylphenyl)propyl]-3-methylbenzene

C33H52 — CID 174153590

IUPAC1,5-ditert-butyl-2-[3-(2,4-ditert-butyl-6-methylphenyl)propyl]-3-methylbenzene
SMILESCc1cc(C(C)(C)C)cc(C(C)(C)C)c1CCCc1c(C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C33H52/c1-22-18-24(30(3,4)5)20-28(32(9,10)11)26(22)16-15-17-27-23(2)19-25(31(6,7)8)21-29(27)33(12,13)14/h18-21H,15-17H2,1-14H3
InChIKeyWPRCNUVMRYCPSL-UHFFFAOYSA-N
MW448.78 g/mol
LogP9.67
Rot. Bonds4

About 1,5-ditert-butyl-2-[3-(2,4-ditert-butyl-6-methylphenyl)propyl]-3-methylbenzene

1,5-ditert-butyl-2-[3-(2,4-ditert-butyl-6-methylphenyl)propyl]-3-methylbenzene (PubChem CID 174153590) has the molecular formula C33H52 and a molecular weight of 448.78 g/mol. Its IUPAC name is 1,5-ditert-butyl-2-[3-(2,4-ditert-butyl-6-methylphenyl)propyl]-3-methylbenzene.

Molecular Properties

Compound Name1,5-ditert-butyl-2-[3-(2,4-ditert-butyl-6-methylphenyl)propyl]-3-methylbenzene
PubChem CID174153590
Molecular FormulaC33H52
Molecular Weight448.78 g/mol
Exact Mass448.41
IUPAC Name1,5-ditert-butyl-2-[3-(2,4-ditert-butyl-6-methylphenyl)propyl]-3-methylbenzene
SMILESCc1cc(C(C)(C)C)cc(C(C)(C)C)c1CCCc1c(C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C33H52/c1-22-18-24(30(3,4)5)20-28(32(9,10)11)26(22)16-15-17-27-23(2)19-25(31(6,7)8)21-29(27)33(12,13)14/h18-21H,15-17H2,1-14H3
InChIKeyWPRCNUVMRYCPSL-UHFFFAOYSA-N
XLogP9.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.78
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(4-tert-butyl-2,6-dimethylphenyl)butane-1-thiol
CID 95461659
5-(4-tert-butyl-2,6-dimethylphenyl)pentanal
CID 98015684
CID 15962849
CID 15962849
3,5-ditert-butyl-2-hexadecylbenzoic acid
CID 151121985
2-(2-amino-4,6-ditert-butylphenyl)ethanol
CID 146198086
1,2,3,5-tetratert-butylbenzene
CID 18679123
1-(4-tert-butyl-2,6-dimethylphenyl)butan-2-ol
CID 60798417
1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-2-amine
CID 60818626
5-tert-butyl-2-[(4-tert-butyl-2-iodo-6-methylphenyl)methyl]-1-iodo-3-methylbenzene
CID 21043173
2-butyl-5-tert-butyl-1-ethynyl-3-methylbenzene
CID 90744569
3-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]propan-1-ol
CID 115217050
2-[[bis[(2,4-ditert-butyl-6-hydroxyphenyl)methyl]amino]methyl]-3,5-ditert-butylphenol
CID 123257913

Frequently Asked Questions

What is the IUPAC name of 1,5-ditert-butyl-2-[3-(2,4-ditert-butyl-6-methylphenyl)propyl]-3-methylbenzene?
The IUPAC name of 1,5-ditert-butyl-2-[3-(2,4-ditert-butyl-6-methylphenyl)propyl]-3-methylbenzene (CID 174153590) is 1,5-ditert-butyl-2-[3-(2,4-ditert-butyl-6-methylphenyl)propyl]-3-methylbenzene.
What is the SMILES notation for 1,5-ditert-butyl-2-[3-(2,4-ditert-butyl-6-methylphenyl)propyl]-3-methylbenzene?
The canonical SMILES for 1,5-ditert-butyl-2-[3-(2,4-ditert-butyl-6-methylphenyl)propyl]-3-methylbenzene is Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1CCCc1c(C)cc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of 1,5-ditert-butyl-2-[3-(2,4-ditert-butyl-6-methylphenyl)propyl]-3-methylbenzene?
The InChIKey is WPRCNUVMRYCPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H52/c1-22-18-24(30(3,4)5)20-28(32(9,10)11)26(22)16-15-17-27-23(2)19-25(31(6,7)8)21-29(27)33(12,13)14/h18-21H,15-17H2,1-14H3.
What are the key properties of 1,5-ditert-butyl-2-[3-(2,4-ditert-butyl-6-methylphenyl)propyl]-3-methylbenzene?
1,5-ditert-butyl-2-[3-(2,4-ditert-butyl-6-methylphenyl)propyl]-3-methylbenzene has a molecular weight of 448.78 g/mol, XLogP of 9.67, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-ditert-butyl-2-[3-(2,4-ditert-butyl-6-methylphenyl)propyl]-3-methylbenzene is sourced from PubChem (CID 174153590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).