1-tert-butyl-4-(2-methylbutyl)benzene;ethane

C17H30 — CID 156874515

IUPAC1-tert-butyl-4-(2-methylbutyl)benzene;ethane
SMILESCC.CCC(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H24.C2H6/c1-6-12(2)11-13-7-9-14(10-8-13)15(3,4)5;1-2/h7-10,12H,6,11H2,1-5H3;1-2H3
InChIKeyKKHFVHCGUDFEIG-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.60
Rot. Bonds3

About 1-tert-butyl-4-(2-methylbutyl)benzene;ethane

1-tert-butyl-4-(2-methylbutyl)benzene;ethane (PubChem CID 156874515) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-methylbutyl)benzene;ethane.

Molecular Properties

Compound Name1-tert-butyl-4-(2-methylbutyl)benzene;ethane
PubChem CID156874515
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name1-tert-butyl-4-(2-methylbutyl)benzene;ethane
SMILESCC.CCC(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H24.C2H6/c1-6-12(2)11-13-7-9-14(10-8-13)15(3,4)5;1-2/h7-10,12H,6,11H2,1-5H3;1-2H3
InChIKeyKKHFVHCGUDFEIG-UHFFFAOYSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-bis(2-methylbutyl)benzene;ethane
CID 145016411
1-tert-butyl-4-(2,4,5,5-tetramethylhexyl)benzene
CID 57303246
5-(4-tert-butylphenyl)-4-methylpentan-2-ol
CID 64719679
1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
1-(3-bromo-2-ethylbutyl)-4-tert-butylbenzene
CID 63471410
5-(4-tert-butylphenyl)-N,4-dimethylpentan-2-amine
CID 64719182
2-methylbutyl-[4-[2-[4-(2-methylbutyl)phenyl]propan-2-yl]phenoxy]phosphane
CID 90923665
formaldehyde;1-methyl-4-(2-methylbutyl)benzene
CID 143236225
1-tert-butyl-4-(2,2-diethoxyethyl)benzene
CID 119030887
1-(2-azidopropyl)-4-tert-butylbenzene
CID 122211561
1-tert-butyl-4-(2-methylpropyl)benzene;1,2,3,4,5-pentafluoro-6-(2-methylpropyl)benzene
CID 142606160
ethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene
CID 171097729

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2-methylbutyl)benzene;ethane?
The IUPAC name of 1-tert-butyl-4-(2-methylbutyl)benzene;ethane (CID 156874515) is 1-tert-butyl-4-(2-methylbutyl)benzene;ethane.
What is the SMILES notation for 1-tert-butyl-4-(2-methylbutyl)benzene;ethane?
The canonical SMILES for 1-tert-butyl-4-(2-methylbutyl)benzene;ethane is CC.CCC(C)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-(2-methylbutyl)benzene;ethane?
The InChIKey is KKHFVHCGUDFEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24.C2H6/c1-6-12(2)11-13-7-9-14(10-8-13)15(3,4)5;1-2/h7-10,12H,6,11H2,1-5H3;1-2H3.
What are the key properties of 1-tert-butyl-4-(2-methylbutyl)benzene;ethane?
1-tert-butyl-4-(2-methylbutyl)benzene;ethane has a molecular weight of 234.43 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2-methylbutyl)benzene;ethane is sourced from PubChem (CID 156874515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).