1-butan-2-yl-2-propan-2-ylbenzene;ethane

C15H26 — CID 143715642

IUPAC1-butan-2-yl-2-propan-2-ylbenzene;ethane
SMILESCC.CCC(C)c1ccccc1C(C)C
InChIInChI=1S/C13H20.C2H6/c1-5-11(4)13-9-7-6-8-12(13)10(2)3;1-2/h6-11H,5H2,1-4H3;1-2H3
InChIKeyDUMPVKKGKCYFFR-UHFFFAOYSA-N
MW206.37 g/mol
LogP5.35
Rot. Bonds3

About 1-butan-2-yl-2-propan-2-ylbenzene;ethane

1-butan-2-yl-2-propan-2-ylbenzene;ethane (PubChem CID 143715642) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 1-butan-2-yl-2-propan-2-ylbenzene;ethane.

Molecular Properties

Compound Name1-butan-2-yl-2-propan-2-ylbenzene;ethane
PubChem CID143715642
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name1-butan-2-yl-2-propan-2-ylbenzene;ethane
SMILESCC.CCC(C)c1ccccc1C(C)C
InChIInChI=1S/C13H20.C2H6/c1-5-11(4)13-9-7-6-8-12(13)10(2)3;1-2/h6-11H,5H2,1-4H3;1-2H3
InChIKeyDUMPVKKGKCYFFR-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2-butan-2-ylphenol;formaldehyde
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(2-butan-2-ylphenyl)-trimethylsilane
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2-butan-2-yl-4-ethyl-1-propan-2-ylbenzene
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1-butan-2-yl-2-butylbenzene;ethane;propane
CID 144927563
1-butan-2-yl-2-(trifluoromethoxy)benzene;ethane
CID 142580959
3-butan-2-yl-6-propan-2-ylbenzene-1,2-diol
CID 146417092
1-(2-butan-2-ylphenyl)-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol
CID 162347273
tris(2-butan-2-ylphenyl) phosphite
CID 18519322
(1S)-2-bromo-1-(2-propan-2-ylphenyl)ethanol
CID 141407511

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-propan-2-ylbenzene;ethane?
The IUPAC name of 1-butan-2-yl-2-propan-2-ylbenzene;ethane (CID 143715642) is 1-butan-2-yl-2-propan-2-ylbenzene;ethane.
What is the SMILES notation for 1-butan-2-yl-2-propan-2-ylbenzene;ethane?
The canonical SMILES for 1-butan-2-yl-2-propan-2-ylbenzene;ethane is CC.CCC(C)c1ccccc1C(C)C.
What is the InChIKey of 1-butan-2-yl-2-propan-2-ylbenzene;ethane?
The InChIKey is DUMPVKKGKCYFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20.C2H6/c1-5-11(4)13-9-7-6-8-12(13)10(2)3;1-2/h6-11H,5H2,1-4H3;1-2H3.
What are the key properties of 1-butan-2-yl-2-propan-2-ylbenzene;ethane?
1-butan-2-yl-2-propan-2-ylbenzene;ethane has a molecular weight of 206.37 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-propan-2-ylbenzene;ethane is sourced from PubChem (CID 143715642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).