1,3-ditert-butyl-2,5-dimethylbenzene;ethane

C18H32 — CID 158807348

IUPAC1,3-ditert-butyl-2,5-dimethylbenzene;ethane
SMILESCC.Cc1cc(C(C)(C)C)c(C)c(C(C)(C)C)c1
InChIInChI=1S/C16H26.C2H6/c1-11-9-13(15(3,4)5)12(2)14(10-11)16(6,7)8;1-2/h9-10H,1-8H3;1-2H3
InChIKeyIUFZCPGYTBJTQO-UHFFFAOYSA-N
MW248.45 g/mol
LogP5.92
Rot. Bonds

About 1,3-ditert-butyl-2,5-dimethylbenzene;ethane

1,3-ditert-butyl-2,5-dimethylbenzene;ethane (PubChem CID 158807348) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 1,3-ditert-butyl-2,5-dimethylbenzene;ethane.

Molecular Properties

Compound Name1,3-ditert-butyl-2,5-dimethylbenzene;ethane
PubChem CID158807348
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name1,3-ditert-butyl-2,5-dimethylbenzene;ethane
SMILESCC.Cc1cc(C(C)(C)C)c(C)c(C(C)(C)C)c1
InChIInChI=1S/C16H26.C2H6/c1-11-9-13(15(3,4)5)12(2)14(10-11)16(6,7)8;1-2/h9-10H,1-8H3;1-2H3
InChIKeyIUFZCPGYTBJTQO-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-2,5-dimethylbenzene;ethane?
The IUPAC name of 1,3-ditert-butyl-2,5-dimethylbenzene;ethane (CID 158807348) is 1,3-ditert-butyl-2,5-dimethylbenzene;ethane.
What is the SMILES notation for 1,3-ditert-butyl-2,5-dimethylbenzene;ethane?
The canonical SMILES for 1,3-ditert-butyl-2,5-dimethylbenzene;ethane is CC.Cc1cc(C(C)(C)C)c(C)c(C(C)(C)C)c1.
What is the InChIKey of 1,3-ditert-butyl-2,5-dimethylbenzene;ethane?
The InChIKey is IUFZCPGYTBJTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26.C2H6/c1-11-9-13(15(3,4)5)12(2)14(10-11)16(6,7)8;1-2/h9-10H,1-8H3;1-2H3.
What are the key properties of 1,3-ditert-butyl-2,5-dimethylbenzene;ethane?
1,3-ditert-butyl-2,5-dimethylbenzene;ethane has a molecular weight of 248.45 g/mol, XLogP of 5.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-2,5-dimethylbenzene;ethane is sourced from PubChem (CID 158807348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).