2-tert-butyl-1,3-dimethyl-5-propan-2-ylbenzene

C15H24 — CID 153423186

IUPAC2-tert-butyl-1,3-dimethyl-5-propan-2-ylbenzene
SMILESCc1cc(C(C)C)cc(C)c1C(C)(C)C
InChIInChI=1S/C15H24/c1-10(2)13-8-11(3)14(12(4)9-13)15(5,6)7/h8-10H,1-7H3
InChIKeyAFMBQPFZORVILD-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.72
Rot. Bonds1

About 2-tert-butyl-1,3-dimethyl-5-propan-2-ylbenzene

2-tert-butyl-1,3-dimethyl-5-propan-2-ylbenzene (PubChem CID 153423186) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 2-tert-butyl-1,3-dimethyl-5-propan-2-ylbenzene.

Molecular Properties

Compound Name2-tert-butyl-1,3-dimethyl-5-propan-2-ylbenzene
PubChem CID153423186
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name2-tert-butyl-1,3-dimethyl-5-propan-2-ylbenzene
SMILESCc1cc(C(C)C)cc(C)c1C(C)(C)C
InChIInChI=1S/C15H24/c1-10(2)13-8-11(3)14(12(4)9-13)15(5,6)7/h8-10H,1-7H3
InChIKeyAFMBQPFZORVILD-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-tert-butyl-1-chloro-3-methyl-5-propan-2-ylbenzene
CID 139403950
2-tert-butyl-1-fluoro-3-methyl-5-propan-2-ylbenzene
CID 139403847
2-tert-butyl-1-methoxy-3-methyl-5-propan-2-ylbenzene
CID 170384005
1,3-dimethyl-2,5-di(propan-2-yl)benzene
CID 59820900
2-tert-butyl-3-methyl-5-propan-2-ylpyridine
CID 134415008
4-[(4-tert-butyl-3,5-dimethylphenyl)disulfanyl]-2,6-dimethylphenol;2-methylpropane
CID 145389274
magnesium;1,3,5-tri(propan-2-yl)benzene;dibromide
CID 175275405
CID 175757661
CID 175757661
1,2-ditert-butyl-5-methyl-3,4-di(propan-2-yl)benzene;ethane
CID 172608977
[(4-tert-butyl-3,5-dimethylphenyl)-dimethylsilyloxymethyl]phosphonic acid
CID 173207297
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
cumene;bis(2,6-dimethyl-4-propan-2-ylphenol);4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
CID 143666287

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-dimethyl-5-propan-2-ylbenzene?
The IUPAC name of 2-tert-butyl-1,3-dimethyl-5-propan-2-ylbenzene (CID 153423186) is 2-tert-butyl-1,3-dimethyl-5-propan-2-ylbenzene.
What is the SMILES notation for 2-tert-butyl-1,3-dimethyl-5-propan-2-ylbenzene?
The canonical SMILES for 2-tert-butyl-1,3-dimethyl-5-propan-2-ylbenzene is Cc1cc(C(C)C)cc(C)c1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1,3-dimethyl-5-propan-2-ylbenzene?
The InChIKey is AFMBQPFZORVILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-10(2)13-8-11(3)14(12(4)9-13)15(5,6)7/h8-10H,1-7H3.
What are the key properties of 2-tert-butyl-1,3-dimethyl-5-propan-2-ylbenzene?
2-tert-butyl-1,3-dimethyl-5-propan-2-ylbenzene has a molecular weight of 204.36 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-dimethyl-5-propan-2-ylbenzene is sourced from PubChem (CID 153423186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).