5-butan-2-yl-1,2-dimethyl-3-propan-2-ylbenzene

C15H24 — CID 168837309

IUPAC5-butan-2-yl-1,2-dimethyl-3-propan-2-ylbenzene
SMILESCCC(C)c1cc(C)c(C)c(C(C)C)c1
InChIInChI=1S/C15H24/c1-7-11(4)14-8-12(5)13(6)15(9-14)10(2)3/h8-11H,7H2,1-6H3
InChIKeyJRIRVMKFMYJJIV-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.94
Rot. Bonds3

About 5-butan-2-yl-1,2-dimethyl-3-propan-2-ylbenzene

5-butan-2-yl-1,2-dimethyl-3-propan-2-ylbenzene (PubChem CID 168837309) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 5-butan-2-yl-1,2-dimethyl-3-propan-2-ylbenzene.

Molecular Properties

Compound Name5-butan-2-yl-1,2-dimethyl-3-propan-2-ylbenzene
PubChem CID168837309
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name5-butan-2-yl-1,2-dimethyl-3-propan-2-ylbenzene
SMILESCCC(C)c1cc(C)c(C)c(C(C)C)c1
InChIInChI=1S/C15H24/c1-7-11(4)14-8-12(5)13(6)15(9-14)10(2)3/h8-11H,7H2,1-6H3
InChIKeyJRIRVMKFMYJJIV-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-butan-2-yl-2,6-di(propan-2-yl)aniline
CID 58701369
1,4-di(butan-2-yl)-2-methylbenzene
CID 58616694
1-[(2R)-butan-2-yl]-3,5-dimethylbenzene
CID 145157940
1-(4-butan-2-yl-2,6-dimethylphenoxy)propan-1-amine
CID 145179772
5-butan-2-yl-3-methylbenzene-1,2-diamine
CID 163588283
(4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanamine
CID 43108648
1-(3,4-dimethyl-5-propan-2-ylphenyl)-N,N-dimethylmethanamine
CID 166055872
(1R)-1-(2-methyl-5-propan-2-ylphenyl)propan-1-amine
CID 55296635
1,3-dibromo-5-butan-2-ylbenzene
CID 54340883
4-butan-2-yl-2-[2-[(5-butan-2-yl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol
CID 137160061
4-bromo-2-[bromo-(4-butan-2-ylphenyl)methyl]-1-methylbenzene
CID 65311990
butane;1,2-dimethyl-4-propan-2-ylbenzene;ethane;1-fluoro-2-methyl-3,5-di(propan-2-yl)benzene
CID 153384961

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1,2-dimethyl-3-propan-2-ylbenzene?
The IUPAC name of 5-butan-2-yl-1,2-dimethyl-3-propan-2-ylbenzene (CID 168837309) is 5-butan-2-yl-1,2-dimethyl-3-propan-2-ylbenzene.
What is the SMILES notation for 5-butan-2-yl-1,2-dimethyl-3-propan-2-ylbenzene?
The canonical SMILES for 5-butan-2-yl-1,2-dimethyl-3-propan-2-ylbenzene is CCC(C)c1cc(C)c(C)c(C(C)C)c1.
What is the InChIKey of 5-butan-2-yl-1,2-dimethyl-3-propan-2-ylbenzene?
The InChIKey is JRIRVMKFMYJJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-7-11(4)14-8-12(5)13(6)15(9-14)10(2)3/h8-11H,7H2,1-6H3.
What are the key properties of 5-butan-2-yl-1,2-dimethyl-3-propan-2-ylbenzene?
5-butan-2-yl-1,2-dimethyl-3-propan-2-ylbenzene has a molecular weight of 204.36 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1,2-dimethyl-3-propan-2-ylbenzene is sourced from PubChem (CID 168837309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).