1,4-diethyl-2,3,5-trimethyl-6-propan-2-ylbenzene

C16H26 — CID 91325088

IUPAC1,4-diethyl-2,3,5-trimethyl-6-propan-2-ylbenzene
SMILESCCc1c(C)c(C)c(CC)c(C(C)C)c1C
InChIInChI=1S/C16H26/c1-8-14-11(5)12(6)15(9-2)16(10(3)4)13(14)7/h10H,8-9H2,1-7H3
InChIKeyBDWLVKAMORZPLA-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.86
Rot. Bonds3

About 1,4-diethyl-2,3,5-trimethyl-6-propan-2-ylbenzene

1,4-diethyl-2,3,5-trimethyl-6-propan-2-ylbenzene (PubChem CID 91325088) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 1,4-diethyl-2,3,5-trimethyl-6-propan-2-ylbenzene.

Molecular Properties

Compound Name1,4-diethyl-2,3,5-trimethyl-6-propan-2-ylbenzene
PubChem CID91325088
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name1,4-diethyl-2,3,5-trimethyl-6-propan-2-ylbenzene
SMILESCCc1c(C)c(C)c(CC)c(C(C)C)c1C
InChIInChI=1S/C16H26/c1-8-14-11(5)12(6)15(9-2)16(10(3)4)13(14)7/h10H,8-9H2,1-7H3
InChIKeyBDWLVKAMORZPLA-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

sodium 2-chloro-4-ethyl-3,5-dimethyl-6-propan-2-ylphenol
CID 18362565
1-ethyl-2,3,5,6-tetramethyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]benzene
CID 20685020
1-ethyl-2,3,5,6-tetrafluoro-4-propan-2-ylbenzene
CID 122480972
1-ethyl-4-(fluoromethyl)-2,3,5,6-tetramethylbenzene;fluoromethane
CID 91195776
1-ethyl-4-[2-(4-ethyl-2,3,5,6-tetramethylphenyl)ethynyl]-2,3,5,6-tetramethylbenzene
CID 59872066
5-ethyl-1,2,3,4-tetramethyl-6-propan-2-ylpyridin-1-ium
CID 91802179
3-ethyl-2,4,5-tri(propan-2-yl)-1H-pyrrole
CID 166458956
1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene
CID 13359400
1-ethyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)benzene
CID 174123096
9-ethyl-10-propan-2-ylanthracene
CID 145486234
1,2,3,4-tetraethyl-5,6,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene
CID 139940266
1-butan-2-yl-3-ethyl-4-methyl-2-propan-2-ylbenzene
CID 123429131

Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-2,3,5-trimethyl-6-propan-2-ylbenzene?
The IUPAC name of 1,4-diethyl-2,3,5-trimethyl-6-propan-2-ylbenzene (CID 91325088) is 1,4-diethyl-2,3,5-trimethyl-6-propan-2-ylbenzene.
What is the SMILES notation for 1,4-diethyl-2,3,5-trimethyl-6-propan-2-ylbenzene?
The canonical SMILES for 1,4-diethyl-2,3,5-trimethyl-6-propan-2-ylbenzene is CCc1c(C)c(C)c(CC)c(C(C)C)c1C.
What is the InChIKey of 1,4-diethyl-2,3,5-trimethyl-6-propan-2-ylbenzene?
The InChIKey is BDWLVKAMORZPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-8-14-11(5)12(6)15(9-2)16(10(3)4)13(14)7/h10H,8-9H2,1-7H3.
What are the key properties of 1,4-diethyl-2,3,5-trimethyl-6-propan-2-ylbenzene?
1,4-diethyl-2,3,5-trimethyl-6-propan-2-ylbenzene has a molecular weight of 218.38 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-2,3,5-trimethyl-6-propan-2-ylbenzene is sourced from PubChem (CID 91325088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).