1,3-di(propan-2-yl)benzene;2,6-di(propan-2-yl)pyridine

C23H35N — CID 158378690

IUPAC1,3-di(propan-2-yl)benzene;2,6-di(propan-2-yl)pyridine
SMILESCC(C)c1cccc(C(C)C)c1.CC(C)c1cccc(C(C)C)n1
InChIInChI=1S/C12H18.C11H17N/c1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-6-5-7-11(12-10)9(3)4/h5-10H,1-4H3;5-9H,1-4H3
InChIKeyGVNCVXMPUBYYGD-UHFFFAOYSA-N
MW325.54 g/mol
LogP7.26
Rot. Bonds4

About 1,3-di(propan-2-yl)benzene;2,6-di(propan-2-yl)pyridine

1,3-di(propan-2-yl)benzene;2,6-di(propan-2-yl)pyridine (PubChem CID 158378690) has the molecular formula C23H35N and a molecular weight of 325.54 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)benzene;2,6-di(propan-2-yl)pyridine.

Molecular Properties

Compound Name1,3-di(propan-2-yl)benzene;2,6-di(propan-2-yl)pyridine
PubChem CID158378690
Molecular FormulaC23H35N
Molecular Weight325.54 g/mol
Exact Mass325.28
IUPAC Name1,3-di(propan-2-yl)benzene;2,6-di(propan-2-yl)pyridine
SMILESCC(C)c1cccc(C(C)C)c1.CC(C)c1cccc(C(C)C)n1
InChIInChI=1S/C12H18.C11H17N/c1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-6-5-7-11(12-10)9(3)4/h5-10H,1-4H3;5-9H,1-4H3
InChIKeyGVNCVXMPUBYYGD-UHFFFAOYSA-N
XLogP7.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)benzene;2,6-di(propan-2-yl)pyridine?
The IUPAC name of 1,3-di(propan-2-yl)benzene;2,6-di(propan-2-yl)pyridine (CID 158378690) is 1,3-di(propan-2-yl)benzene;2,6-di(propan-2-yl)pyridine.
What is the SMILES notation for 1,3-di(propan-2-yl)benzene;2,6-di(propan-2-yl)pyridine?
The canonical SMILES for 1,3-di(propan-2-yl)benzene;2,6-di(propan-2-yl)pyridine is CC(C)c1cccc(C(C)C)c1.CC(C)c1cccc(C(C)C)n1.
What is the InChIKey of 1,3-di(propan-2-yl)benzene;2,6-di(propan-2-yl)pyridine?
The InChIKey is GVNCVXMPUBYYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.C11H17N/c1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-6-5-7-11(12-10)9(3)4/h5-10H,1-4H3;5-9H,1-4H3.
What are the key properties of 1,3-di(propan-2-yl)benzene;2,6-di(propan-2-yl)pyridine?
1,3-di(propan-2-yl)benzene;2,6-di(propan-2-yl)pyridine has a molecular weight of 325.54 g/mol, XLogP of 7.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)benzene;2,6-di(propan-2-yl)pyridine is sourced from PubChem (CID 158378690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).