1,4-di(butan-2-yl)-2-methylbenzene

C15H24 — CID 58616694

IUPAC1,4-di(butan-2-yl)-2-methylbenzene
SMILESCCC(C)c1ccc(C(C)CC)c(C)c1
InChIInChI=1S/C15H24/c1-6-11(3)14-8-9-15(12(4)7-2)13(5)10-14/h8-12H,6-7H2,1-5H3
InChIKeyGPTXFURIGNJZFN-UHFFFAOYSA-N
MW204.36 g/mol
LogP5.02
Rot. Bonds4

About 1,4-di(butan-2-yl)-2-methylbenzene

1,4-di(butan-2-yl)-2-methylbenzene (PubChem CID 58616694) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1,4-di(butan-2-yl)-2-methylbenzene.

Molecular Properties

Compound Name1,4-di(butan-2-yl)-2-methylbenzene
PubChem CID58616694
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1,4-di(butan-2-yl)-2-methylbenzene
SMILESCCC(C)c1ccc(C(C)CC)c(C)c1
InChIInChI=1S/C15H24/c1-6-11(3)14-8-9-15(12(4)7-2)13(5)10-14/h8-12H,6-7H2,1-5H3
InChIKeyGPTXFURIGNJZFN-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-butan-2-yl-3-methylphenol
CID 21413615
5-butan-2-yl-2-[(2S)-butan-2-yl]phenol
CID 71088611
4-bromo-2-[bromo-(4-butan-2-ylphenyl)methyl]-1-methylbenzene
CID 65311990
N-[4-[(2S)-butan-2-yl]-2-methylphenyl]acetamide
CID 142207659
(4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanamine
CID 43108648
(4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanol
CID 63426275
5-butan-2-yl-1,2-dimethyl-3-propan-2-ylbenzene
CID 168837309
methyl 4-butan-2-yl-3-methylbenzoate
CID 164538422
(4-butan-2-yl-3-methylphenyl)-methyliodanuidylmethanone
CID 165142649
2-(4-butan-2-yl-3-chlorophenyl)propan-1-amine
CID 117324646
4-butan-2-yl-1-propan-2-yl-2-(trifluoromethyl)benzene
CID 90892155
5-butan-2-yl-2-(4-butan-2-yl-2-hydroxyphenyl)phenol
CID 66659271

Frequently Asked Questions

What is the IUPAC name of 1,4-di(butan-2-yl)-2-methylbenzene?
The IUPAC name of 1,4-di(butan-2-yl)-2-methylbenzene (CID 58616694) is 1,4-di(butan-2-yl)-2-methylbenzene.
What is the SMILES notation for 1,4-di(butan-2-yl)-2-methylbenzene?
The canonical SMILES for 1,4-di(butan-2-yl)-2-methylbenzene is CCC(C)c1ccc(C(C)CC)c(C)c1.
What is the InChIKey of 1,4-di(butan-2-yl)-2-methylbenzene?
The InChIKey is GPTXFURIGNJZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-6-11(3)14-8-9-15(12(4)7-2)13(5)10-14/h8-12H,6-7H2,1-5H3.
What are the key properties of 1,4-di(butan-2-yl)-2-methylbenzene?
1,4-di(butan-2-yl)-2-methylbenzene has a molecular weight of 204.36 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(butan-2-yl)-2-methylbenzene is sourced from PubChem (CID 58616694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).