1-butan-2-yl-2-but-1-en-2-yl-4,5-dimethylbenzene

C16H24 — CID 163662808

IUPAC1-butan-2-yl-2-but-1-en-2-yl-4,5-dimethylbenzene
SMILESC=C(CC)c1cc(C)c(C)cc1C(C)CC
InChIInChI=1S/C16H24/c1-7-11(3)15-9-13(5)14(6)10-16(15)12(4)8-2/h9-10,12H,3,7-8H2,1-2,4-6H3
InChIKeyIVVSBEBLYAKJIK-UHFFFAOYSA-N
MW216.37 g/mol
LogP5.24
Rot. Bonds4

About 1-butan-2-yl-2-but-1-en-2-yl-4,5-dimethylbenzene

1-butan-2-yl-2-but-1-en-2-yl-4,5-dimethylbenzene (PubChem CID 163662808) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-butan-2-yl-2-but-1-en-2-yl-4,5-dimethylbenzene.

Molecular Properties

Compound Name1-butan-2-yl-2-but-1-en-2-yl-4,5-dimethylbenzene
PubChem CID163662808
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1-butan-2-yl-2-but-1-en-2-yl-4,5-dimethylbenzene
SMILESC=C(CC)c1cc(C)c(C)cc1C(C)CC
InChIInChI=1S/C16H24/c1-7-11(3)15-9-13(5)14(6)10-16(15)12(4)8-2/h9-10,12H,3,7-8H2,1-2,4-6H3
InChIKeyIVVSBEBLYAKJIK-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-but-1-en-2-yl-1,4-dimethylbenzene;ethane;2-methylbut-1-ene;2-methylpropane;1,2,4-trimethylbenzene
CID 142019907
4-butan-2-yl-3-methylphenol
CID 21413615
1-(2-fluoropent-1-en-3-yl)-2,4,5-trimethylbenzene
CID 170020955
1-butan-2-yl-5-methoxy-2,4-dimethylbenzene
CID 144980692
1-butan-2-yl-4-fluoro-2-methoxy-5-methylbenzene;ethane
CID 145090186
6-butan-2-yl-3-(chloromethyl)-2,4-dimethylphenol
CID 139881036
4-butan-2-yl-2-chloro-5-methylphenol
CID 71372422
1,4-di(butan-2-yl)-2-methylbenzene
CID 58616694
5-butan-2-ylbenzene-1,2,4-triol
CID 22895392
1-butan-2-yl-2-methyl-4-(4-methylpenta-1,2,4-trien-3-yl)benzene
CID 123838799
5-but-1-en-2-yl-2,4-dimethylbenzonitrile
CID 134513277
2-but-1-en-2-yl-4-methylphenol
CID 142975945

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-but-1-en-2-yl-4,5-dimethylbenzene?
The IUPAC name of 1-butan-2-yl-2-but-1-en-2-yl-4,5-dimethylbenzene (CID 163662808) is 1-butan-2-yl-2-but-1-en-2-yl-4,5-dimethylbenzene.
What is the SMILES notation for 1-butan-2-yl-2-but-1-en-2-yl-4,5-dimethylbenzene?
The canonical SMILES for 1-butan-2-yl-2-but-1-en-2-yl-4,5-dimethylbenzene is C=C(CC)c1cc(C)c(C)cc1C(C)CC.
What is the InChIKey of 1-butan-2-yl-2-but-1-en-2-yl-4,5-dimethylbenzene?
The InChIKey is IVVSBEBLYAKJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-7-11(3)15-9-13(5)14(6)10-16(15)12(4)8-2/h9-10,12H,3,7-8H2,1-2,4-6H3.
What are the key properties of 1-butan-2-yl-2-but-1-en-2-yl-4,5-dimethylbenzene?
1-butan-2-yl-2-but-1-en-2-yl-4,5-dimethylbenzene has a molecular weight of 216.37 g/mol, XLogP of 5.24, 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-2-but-1-en-2-yl-4,5-dimethylbenzene is sourced from PubChem (CID 163662808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).