1-(2,2-dimethylpropyl)-2-propan-2-ylbenzene;ethane

C16H28 — CID 142343598

IUPAC1-(2,2-dimethylpropyl)-2-propan-2-ylbenzene;ethane
SMILESCC.CC(C)c1ccccc1CC(C)(C)C
InChIInChI=1S/C14H22.C2H6/c1-11(2)13-9-7-6-8-12(13)10-14(3,4)5;1-2/h6-9,11H,10H2,1-5H3;1-2H3
InChIKeyZJDOZZBBWIVLDE-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.42
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-2-propan-2-ylbenzene;ethane

1-(2,2-dimethylpropyl)-2-propan-2-ylbenzene;ethane (PubChem CID 142343598) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-2-propan-2-ylbenzene;ethane.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-2-propan-2-ylbenzene;ethane
PubChem CID142343598
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name1-(2,2-dimethylpropyl)-2-propan-2-ylbenzene;ethane
SMILESCC.CC(C)c1ccccc1CC(C)(C)C
InChIInChI=1S/C14H22.C2H6/c1-11(2)13-9-7-6-8-12(13)10-14(3,4)5;1-2/h6-9,11H,10H2,1-5H3;1-2H3
InChIKeyZJDOZZBBWIVLDE-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]benzene
CID 15068594
2-(2,2-dimethylpropyl)-N-phenyl-6-propan-2-ylaniline
CID 175179902
CID 173166794
CID 173166794
(2-propan-2-ylphenyl)methanamine
CID 15040708
ethane;N-methyl-1-(2-propan-2-ylphenyl)methanamine
CID 177247543
N'-benzoyl-2-(2,2-dimethylpropyl)-6-propan-2-ylbenzohydrazide
CID 175027495
1-(3,3-dimethylbutyl)-3-propan-2-yl-2-propylbenzene;ethane
CID 144751818
1-(2,2-dimethylpropyl)-2-methylbenzene
CID 21464495
1-(3-methylbutyl)-2-propan-2-ylbenzene
CID 18417614
1,3-bis(2-propan-2-ylphenyl)propan-2-one
CID 21115419
1-benzyl-2-propan-2-ylbenzene
CID 13215617
1-(1,1-dideuterio-2-methylpropyl)-2-propan-2-ylbenzene
CID 167379247

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-2-propan-2-ylbenzene;ethane?
The IUPAC name of 1-(2,2-dimethylpropyl)-2-propan-2-ylbenzene;ethane (CID 142343598) is 1-(2,2-dimethylpropyl)-2-propan-2-ylbenzene;ethane.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-2-propan-2-ylbenzene;ethane?
The canonical SMILES for 1-(2,2-dimethylpropyl)-2-propan-2-ylbenzene;ethane is CC.CC(C)c1ccccc1CC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropyl)-2-propan-2-ylbenzene;ethane?
The InChIKey is ZJDOZZBBWIVLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.C2H6/c1-11(2)13-9-7-6-8-12(13)10-14(3,4)5;1-2/h6-9,11H,10H2,1-5H3;1-2H3.
What are the key properties of 1-(2,2-dimethylpropyl)-2-propan-2-ylbenzene;ethane?
1-(2,2-dimethylpropyl)-2-propan-2-ylbenzene;ethane has a molecular weight of 220.40 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-2-propan-2-ylbenzene;ethane is sourced from PubChem (CID 142343598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).