1-butan-2-yl-4-(2-methylbutan-2-yl)benzene

C15H24 — CID 54072029

IUPAC1-butan-2-yl-4-(2-methylbutan-2-yl)benzene
SMILESCCC(C)c1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C15H24/c1-6-12(3)13-8-10-14(11-9-13)15(4,5)7-2/h8-12H,6-7H2,1-5H3
InChIKeyMHCRHYJCWFHDHS-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.89
Rot. Bonds4

About 1-butan-2-yl-4-(2-methylbutan-2-yl)benzene

1-butan-2-yl-4-(2-methylbutan-2-yl)benzene (PubChem CID 54072029) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1-butan-2-yl-4-(2-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name1-butan-2-yl-4-(2-methylbutan-2-yl)benzene
PubChem CID54072029
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1-butan-2-yl-4-(2-methylbutan-2-yl)benzene
SMILESCCC(C)c1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C15H24/c1-6-12(3)13-8-10-14(11-9-13)15(4,5)7-2/h8-12H,6-7H2,1-5H3
InChIKeyMHCRHYJCWFHDHS-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
CID 82077217
CID 123774225
CID 123774225
2-butan-2-yl-7-(2-methylbutan-2-yl)phenanthrene
CID 143619990
1-[(1S)-1-iodoethyl]-4-(2-methylbutan-2-yl)benzene
CID 118596148
1-(1-chloroethyl)-4-(2-methylbutan-2-yl)benzene
CID 66259205
1-butan-2-yl-4-(1-chloro-2,2-dimethylbutyl)benzene
CID 63429913
1-butan-2-yl-4-(1-ethoxyethoxy)benzene;1-butan-2-yl-4-(ethoxymethoxy)benzene;1-(1-ethoxyethoxy)-4-(2-methylbutan-2-yl)benzene
CID 162232854
2,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-amine
CID 66259173
2-butan-2-yl-5-(2-methylbutan-2-yl)pyridine
CID 90395896
methyl-tris[4-(2-methylbutan-2-yl)phenyl]phosphanium
CID 23463777
1-butan-2-yl-4-tert-butylbenzene;2,2-dimethylbutanoic acid
CID 158163672
1-[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]propan-1-amine
CID 66258612

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(2-methylbutan-2-yl)benzene?
The IUPAC name of 1-butan-2-yl-4-(2-methylbutan-2-yl)benzene (CID 54072029) is 1-butan-2-yl-4-(2-methylbutan-2-yl)benzene.
What is the SMILES notation for 1-butan-2-yl-4-(2-methylbutan-2-yl)benzene?
The canonical SMILES for 1-butan-2-yl-4-(2-methylbutan-2-yl)benzene is CCC(C)c1ccc(C(C)(C)CC)cc1.
What is the InChIKey of 1-butan-2-yl-4-(2-methylbutan-2-yl)benzene?
The InChIKey is MHCRHYJCWFHDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-6-12(3)13-8-10-14(11-9-13)15(4,5)7-2/h8-12H,6-7H2,1-5H3.
What are the key properties of 1-butan-2-yl-4-(2-methylbutan-2-yl)benzene?
1-butan-2-yl-4-(2-methylbutan-2-yl)benzene has a molecular weight of 204.36 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(2-methylbutan-2-yl)benzene is sourced from PubChem (CID 54072029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).