1-butan-2-yl-3-ethyl-4-methyl-2-propan-2-ylbenzene

C16H26 — CID 123429131

IUPAC1-butan-2-yl-3-ethyl-4-methyl-2-propan-2-ylbenzene
SMILESCCc1c(C)ccc(C(C)CC)c1C(C)C
InChIInChI=1S/C16H26/c1-7-12(5)15-10-9-13(6)14(8-2)16(15)11(3)4/h9-12H,7-8H2,1-6H3
InChIKeyJSVGXHDEIATTKA-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.19
Rot. Bonds4

About 1-butan-2-yl-3-ethyl-4-methyl-2-propan-2-ylbenzene

1-butan-2-yl-3-ethyl-4-methyl-2-propan-2-ylbenzene (PubChem CID 123429131) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 1-butan-2-yl-3-ethyl-4-methyl-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-butan-2-yl-3-ethyl-4-methyl-2-propan-2-ylbenzene
PubChem CID123429131
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name1-butan-2-yl-3-ethyl-4-methyl-2-propan-2-ylbenzene
SMILESCCc1c(C)ccc(C(C)CC)c1C(C)C
InChIInChI=1S/C16H26/c1-7-12(5)15-10-9-13(6)14(8-2)16(15)11(3)4/h9-12H,7-8H2,1-6H3
InChIKeyJSVGXHDEIATTKA-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-3-methyl-6-propan-2-ylphenol
CID 141031385
2-ethyl-N,3-dimethyl-6-propan-2-ylaniline;molecular hydrogen
CID 145358889
2-butan-2-yl-4-ethyl-1-propan-2-ylbenzene
CID 123761837
1,4-di(butan-2-yl)-2-methylbenzene
CID 58616694
(2-butan-2-yl-6-methylphenyl)methanamine;ethane
CID 143860612
1-methyl-2,3,4-tri(propan-2-yl)benzene
CID 22369929
4-butan-2-yl-3-methylphenol
CID 21413615
2,3,6-tri(butan-2-yl)phenol
CID 101292764
3-butan-2-yl-6-propan-2-ylbenzene-1,2-diol
CID 146417092
1-ethyl-3-fluoro-4-methyl-2-propan-2-ylbenzene
CID 168959463
1,3-dimethyl-2,4-di(propan-2-yl)benzene;ethane
CID 145387685
1-butan-2-yl-2-propan-2-ylbenzene;ethane
CID 143715642

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-ethyl-4-methyl-2-propan-2-ylbenzene?
The IUPAC name of 1-butan-2-yl-3-ethyl-4-methyl-2-propan-2-ylbenzene (CID 123429131) is 1-butan-2-yl-3-ethyl-4-methyl-2-propan-2-ylbenzene.
What is the SMILES notation for 1-butan-2-yl-3-ethyl-4-methyl-2-propan-2-ylbenzene?
The canonical SMILES for 1-butan-2-yl-3-ethyl-4-methyl-2-propan-2-ylbenzene is CCc1c(C)ccc(C(C)CC)c1C(C)C.
What is the InChIKey of 1-butan-2-yl-3-ethyl-4-methyl-2-propan-2-ylbenzene?
The InChIKey is JSVGXHDEIATTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-7-12(5)15-10-9-13(6)14(8-2)16(15)11(3)4/h9-12H,7-8H2,1-6H3.
What are the key properties of 1-butan-2-yl-3-ethyl-4-methyl-2-propan-2-ylbenzene?
1-butan-2-yl-3-ethyl-4-methyl-2-propan-2-ylbenzene has a molecular weight of 218.38 g/mol, XLogP of 5.19, 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-3-ethyl-4-methyl-2-propan-2-ylbenzene is sourced from PubChem (CID 123429131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).