1-ethyl-3-(2,3,3-trimethylbutan-2-yl)benzene

C15H24 — CID 59692130

IUPAC1-ethyl-3-(2,3,3-trimethylbutan-2-yl)benzene
SMILESCCc1cccc(C(C)(C)C(C)(C)C)c1
InChIInChI=1S/C15H24/c1-7-12-9-8-10-13(11-12)15(5,6)14(2,3)4/h8-11H,7H2,1-6H3
InChIKeyBWUNHFOMZISPMZ-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.57
Rot. Bonds2

About 1-ethyl-3-(2,3,3-trimethylbutan-2-yl)benzene

1-ethyl-3-(2,3,3-trimethylbutan-2-yl)benzene (PubChem CID 59692130) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1-ethyl-3-(2,3,3-trimethylbutan-2-yl)benzene.

Molecular Properties

Compound Name1-ethyl-3-(2,3,3-trimethylbutan-2-yl)benzene
PubChem CID59692130
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1-ethyl-3-(2,3,3-trimethylbutan-2-yl)benzene
SMILESCCc1cccc(C(C)(C)C(C)(C)C)c1
InChIInChI=1S/C15H24/c1-7-12-9-8-10-13(11-12)15(5,6)14(2,3)4/h8-11H,7H2,1-6H3
InChIKeyBWUNHFOMZISPMZ-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2,3,3-trimethylbutan-2-yl)benzene?
The IUPAC name of 1-ethyl-3-(2,3,3-trimethylbutan-2-yl)benzene (CID 59692130) is 1-ethyl-3-(2,3,3-trimethylbutan-2-yl)benzene.
What is the SMILES notation for 1-ethyl-3-(2,3,3-trimethylbutan-2-yl)benzene?
The canonical SMILES for 1-ethyl-3-(2,3,3-trimethylbutan-2-yl)benzene is CCc1cccc(C(C)(C)C(C)(C)C)c1.
What is the InChIKey of 1-ethyl-3-(2,3,3-trimethylbutan-2-yl)benzene?
The InChIKey is BWUNHFOMZISPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-7-12-9-8-10-13(11-12)15(5,6)14(2,3)4/h8-11H,7H2,1-6H3.
What are the key properties of 1-ethyl-3-(2,3,3-trimethylbutan-2-yl)benzene?
1-ethyl-3-(2,3,3-trimethylbutan-2-yl)benzene has a molecular weight of 204.36 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2,3,3-trimethylbutan-2-yl)benzene is sourced from PubChem (CID 59692130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).