1-(3,3-dimethylbutyl)-4-propan-2-ylbenzene;methane

C16H28 — CID 171834483

IUPAC1-(3,3-dimethylbutyl)-4-propan-2-ylbenzene;methane
SMILESC.CC(C)c1ccc(CCC(C)(C)C)cc1
InChIInChI=1S/C15H24.CH4/c1-12(2)14-8-6-13(7-9-14)10-11-15(3,4)5;/h6-9,12H,10-11H2,1-5H3;1H4
InChIKeyJLZBNDFQFZEBCO-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.42
Rot. Bonds3

About 1-(3,3-dimethylbutyl)-4-propan-2-ylbenzene;methane

1-(3,3-dimethylbutyl)-4-propan-2-ylbenzene;methane (PubChem CID 171834483) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-4-propan-2-ylbenzene;methane.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-4-propan-2-ylbenzene;methane
PubChem CID171834483
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name1-(3,3-dimethylbutyl)-4-propan-2-ylbenzene;methane
SMILESC.CC(C)c1ccc(CCC(C)(C)C)cc1
InChIInChI=1S/C15H24.CH4/c1-12(2)14-8-6-13(7-9-14)10-11-15(3,4)5;/h6-9,12H,10-11H2,1-5H3;1H4
InChIKeyJLZBNDFQFZEBCO-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane
CID 166076943
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
1-[2-methyl-4-(4-propan-2-ylphenyl)butan-2-yl]piperazine
CID 95477555
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
(2R)-4-(4-propan-2-ylphenyl)butan-2-amine
CID 40999647
3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butan-1-amine
CID 63438479
N-tert-butyl-5-(4-propan-2-ylphenyl)pentan-1-amine
CID 65305552
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
1-butyl-4-ethylbenzene;ethane;1-ethyl-4-propan-2-ylbenzene;methane
CID 176687496
ethane;3-(4-propan-2-ylphenyl)propane-1-thiol
CID 144873954
4-[3-[4-(3,3-dimethylbutyl)phenyl]propyl]phenol
CID 58897702
1-(3-methylbutyl)-4-(4-propan-2-ylphenyl)benzene
CID 164757723

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-4-propan-2-ylbenzene;methane?
The IUPAC name of 1-(3,3-dimethylbutyl)-4-propan-2-ylbenzene;methane (CID 171834483) is 1-(3,3-dimethylbutyl)-4-propan-2-ylbenzene;methane.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-4-propan-2-ylbenzene;methane?
The canonical SMILES for 1-(3,3-dimethylbutyl)-4-propan-2-ylbenzene;methane is C.CC(C)c1ccc(CCC(C)(C)C)cc1.
What is the InChIKey of 1-(3,3-dimethylbutyl)-4-propan-2-ylbenzene;methane?
The InChIKey is JLZBNDFQFZEBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24.CH4/c1-12(2)14-8-6-13(7-9-14)10-11-15(3,4)5;/h6-9,12H,10-11H2,1-5H3;1H4.
What are the key properties of 1-(3,3-dimethylbutyl)-4-propan-2-ylbenzene;methane?
1-(3,3-dimethylbutyl)-4-propan-2-ylbenzene;methane has a molecular weight of 220.40 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-4-propan-2-ylbenzene;methane is sourced from PubChem (CID 171834483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).