1-ethyl-2,3,4,5-tetra(propan-2-yl)benzene

C20H34 — CID 54148027

IUPAC1-ethyl-2,3,4,5-tetra(propan-2-yl)benzene
SMILESCCc1cc(C(C)C)c(C(C)C)c(C(C)C)c1C(C)C
InChIInChI=1S/C20H34/c1-10-16-11-17(12(2)3)19(14(6)7)20(15(8)9)18(16)13(4)5/h11-15H,10H2,1-9H3
InChIKeyOFTGUXUTMXLROL-UHFFFAOYSA-N
MW274.49 g/mol
LogP6.74
Rot. Bonds5

About 1-ethyl-2,3,4,5-tetra(propan-2-yl)benzene

1-ethyl-2,3,4,5-tetra(propan-2-yl)benzene (PubChem CID 54148027) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is 1-ethyl-2,3,4,5-tetra(propan-2-yl)benzene.

Molecular Properties

Compound Name1-ethyl-2,3,4,5-tetra(propan-2-yl)benzene
PubChem CID54148027
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name1-ethyl-2,3,4,5-tetra(propan-2-yl)benzene
SMILESCCc1cc(C(C)C)c(C(C)C)c(C(C)C)c1C(C)C
InChIInChI=1S/C20H34/c1-10-16-11-17(12(2)3)19(14(6)7)20(15(8)9)18(16)13(4)5/h11-15H,10H2,1-9H3
InChIKeyOFTGUXUTMXLROL-UHFFFAOYSA-N
XLogP6.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-5-methyl-2,4-di(propan-2-yl)benzene
CID 18711823
4,5-diethyl-2-propan-2-ylbenzonitrile
CID 71134969
2-amino-3,4,5-tri(propan-2-yl)benzenethiol
CID 134347258
4-ethyl-6-methyl-3-propan-2-yl-1H-pyridin-2-one
CID 137390743
1-ethyl-2-methyl-5-propan-2-yl-4-propylbenzene
CID 123747776
3-[4-ethyl-2,5-di(propan-2-yl)phenyl]prop-2-enoic acid
CID 70015103
1-(chloromethyl)-2,3,4-tri(propan-2-yl)benzene
CID 70608971
2-amino-3,4,5-tri(propan-2-yl)phenol
CID 134347284
butane;4-ethyl-5-propan-2-ylbenzene-1,2-diol
CID 142271065
1-(2-methylpropyl)-2,3,4-tri(propan-2-yl)benzene
CID 140816630
bis(1,3-diethyl-2-propan-2-ylbenzene);bis(2-methylpropane)
CID 159950653
1-ethoxy-4-ethyl-5-methyl-2-propan-2-ylbenzene
CID 58065697

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3,4,5-tetra(propan-2-yl)benzene?
The IUPAC name of 1-ethyl-2,3,4,5-tetra(propan-2-yl)benzene (CID 54148027) is 1-ethyl-2,3,4,5-tetra(propan-2-yl)benzene.
What is the SMILES notation for 1-ethyl-2,3,4,5-tetra(propan-2-yl)benzene?
The canonical SMILES for 1-ethyl-2,3,4,5-tetra(propan-2-yl)benzene is CCc1cc(C(C)C)c(C(C)C)c(C(C)C)c1C(C)C.
What is the InChIKey of 1-ethyl-2,3,4,5-tetra(propan-2-yl)benzene?
The InChIKey is OFTGUXUTMXLROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34/c1-10-16-11-17(12(2)3)19(14(6)7)20(15(8)9)18(16)13(4)5/h11-15H,10H2,1-9H3.
What are the key properties of 1-ethyl-2,3,4,5-tetra(propan-2-yl)benzene?
1-ethyl-2,3,4,5-tetra(propan-2-yl)benzene has a molecular weight of 274.49 g/mol, XLogP of 6.74, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3,4,5-tetra(propan-2-yl)benzene is sourced from PubChem (CID 54148027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).