1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane

C15H26 — CID 166076943

IUPAC1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane
SMILESC.CC(C)c1ccc(CC(C)(C)C)cc1
InChIInChI=1S/C14H22.CH4/c1-11(2)13-8-6-12(7-9-13)10-14(3,4)5;/h6-9,11H,10H2,1-5H3;1H4
InChIKeyPXQIQORCVKBBQA-UHFFFAOYSA-N
MW206.37 g/mol
LogP5.03
Rot. Bonds2

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

1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane (PubChem CID 166076943) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane
PubChem CID166076943
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane
SMILESC.CC(C)c1ccc(CC(C)(C)C)cc1
InChIInChI=1S/C14H22.CH4/c1-11(2)13-8-6-12(7-9-13)10-14(3,4)5;/h6-9,11H,10H2,1-5H3;1H4
InChIKeyPXQIQORCVKBBQA-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane (CID 166076943) is 1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane is C.CC(C)c1ccc(CC(C)(C)C)cc1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane?
The InChIKey is PXQIQORCVKBBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.CH4/c1-11(2)13-8-6-12(7-9-13)10-14(3,4)5;/h6-9,11H,10H2,1-5H3;1H4.
What are the key properties of 1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane?
1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane has a molecular weight of 206.37 g/mol, XLogP of 5.03, 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)-4-propan-2-ylbenzene;methane is sourced from PubChem (CID 166076943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).