bis(1,3-diethyl-2-propan-2-ylbenzene);bis(2-methylpropane)

C34H60 — CID 159950653

IUPACbis(1,3-diethyl-2-propan-2-ylbenzene);bis(2-methylpropane)
SMILESCC(C)C.CC(C)C.CCc1cccc(CC)c1C(C)C.CCc1cccc(CC)c1C(C)C
InChIInChI=1S/2C13H20.2C4H10/c2*1-5-11-8-7-9-12(6-2)13(11)10(3)4;2*1-4(2)3/h2*7-10H,5-6H2,1-4H3;2*4H,1-3H3
InChIKeyOCBKKSUBBFEWFA-UHFFFAOYSA-N
MW468.85 g/mol
LogP11.19
Rot. Bonds6

About bis(1,3-diethyl-2-propan-2-ylbenzene);bis(2-methylpropane)

bis(1,3-diethyl-2-propan-2-ylbenzene);bis(2-methylpropane) (PubChem CID 159950653) has the molecular formula C34H60 and a molecular weight of 468.85 g/mol. Its IUPAC name is bis(1,3-diethyl-2-propan-2-ylbenzene);bis(2-methylpropane).

Molecular Properties

Compound Namebis(1,3-diethyl-2-propan-2-ylbenzene);bis(2-methylpropane)
PubChem CID159950653
Molecular FormulaC34H60
Molecular Weight468.85 g/mol
Exact Mass468.47
IUPAC Namebis(1,3-diethyl-2-propan-2-ylbenzene);bis(2-methylpropane)
SMILESCC(C)C.CC(C)C.CCc1cccc(CC)c1C(C)C.CCc1cccc(CC)c1C(C)C
InChIInChI=1S/2C13H20.2C4H10/c2*1-5-11-8-7-9-12(6-2)13(11)10(3)4;2*1-4(2)3/h2*7-10H,5-6H2,1-4H3;2*4H,1-3H3
InChIKeyOCBKKSUBBFEWFA-UHFFFAOYSA-N
XLogP11.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.85
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-2-fluoro-3-propan-2-ylbenzene
CID 54146426
1-ethyl-3-fluoro-4-methyl-2-propan-2-ylbenzene
CID 168959463
(2-ethyl-6-iodophenyl)methanediol
CID 156529935
2-ethyl-N-methyl-6-propan-2-ylaniline
CID 131620902
2-chloro-2-(2,6-diethylphenyl)acetamide
CID 70479437
1,2-di(propan-2-yl)-3-propylbenzene;hydrogen peroxide
CID 172751409
1-butyl-3-methyl-2-propan-2-ylbenzene
CID 123934054
1,2-diethylbenzene;hydrobromide
CID 174973685
(1R,2S)-1-amino-1-(2-chloro-6-ethylphenyl)propan-2-ol
CID 130692242
1,3-diethyl-2-iodobenzene
CID 18690512
N-[1-(2,6-difluorophenyl)ethyl]-2-ethylaniline
CID 43094216
3-(chloromethyl)-2-propan-2-ylphenol
CID 21319613

Frequently Asked Questions

What is the IUPAC name of bis(1,3-diethyl-2-propan-2-ylbenzene);bis(2-methylpropane)?
The IUPAC name of bis(1,3-diethyl-2-propan-2-ylbenzene);bis(2-methylpropane) (CID 159950653) is bis(1,3-diethyl-2-propan-2-ylbenzene);bis(2-methylpropane).
What is the SMILES notation for bis(1,3-diethyl-2-propan-2-ylbenzene);bis(2-methylpropane)?
The canonical SMILES for bis(1,3-diethyl-2-propan-2-ylbenzene);bis(2-methylpropane) is CC(C)C.CC(C)C.CCc1cccc(CC)c1C(C)C.CCc1cccc(CC)c1C(C)C.
What is the InChIKey of bis(1,3-diethyl-2-propan-2-ylbenzene);bis(2-methylpropane)?
The InChIKey is OCBKKSUBBFEWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H20.2C4H10/c2*1-5-11-8-7-9-12(6-2)13(11)10(3)4;2*1-4(2)3/h2*7-10H,5-6H2,1-4H3;2*4H,1-3H3.
What are the key properties of bis(1,3-diethyl-2-propan-2-ylbenzene);bis(2-methylpropane)?
bis(1,3-diethyl-2-propan-2-ylbenzene);bis(2-methylpropane) has a molecular weight of 468.85 g/mol, XLogP of 11.19, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3-diethyl-2-propan-2-ylbenzene);bis(2-methylpropane) is sourced from PubChem (CID 159950653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).