tert-butylbenzene;ethane;methane;2-methylpropane;pyridine

C24H45N — CID 162015945

IUPACtert-butylbenzene;ethane;methane;2-methylpropane;pyridine
SMILESC.CC.CC.CC(C)(C)c1ccccc1.CC(C)C.c1ccncc1
InChIInChI=1S/C10H14.C5H5N.C4H10.2C2H6.CH4/c1-10(2,3)9-7-5-4-6-8-9;1-2-4-6-5-3-1;1-4(2)3;2*1-2;/h4-8H,1-3H3;1-5H;4H,1-3H3;2*1-2H3;1H4
InChIKeyYUCJGZQYPQGATM-UHFFFAOYSA-N
MW347.63 g/mol
LogP8.42
Rot. Bonds

About tert-butylbenzene;ethane;methane;2-methylpropane;pyridine

tert-butylbenzene;ethane;methane;2-methylpropane;pyridine (PubChem CID 162015945) has the molecular formula C24H45N and a molecular weight of 347.63 g/mol. Its IUPAC name is tert-butylbenzene;ethane;methane;2-methylpropane;pyridine.

Molecular Properties

Compound Nametert-butylbenzene;ethane;methane;2-methylpropane;pyridine
PubChem CID162015945
Molecular FormulaC24H45N
Molecular Weight347.63 g/mol
Exact Mass347.36
IUPAC Nametert-butylbenzene;ethane;methane;2-methylpropane;pyridine
SMILESC.CC.CC.CC(C)(C)c1ccccc1.CC(C)C.c1ccncc1
InChIInChI=1S/C10H14.C5H5N.C4H10.2C2H6.CH4/c1-10(2,3)9-7-5-4-6-8-9;1-2-4-6-5-3-1;1-4(2)3;2*1-2;/h4-8H,1-3H3;1-5H;4H,1-3H3;2*1-2H3;1H4
InChIKeyYUCJGZQYPQGATM-UHFFFAOYSA-N
XLogP8.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.63
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;ethane;methane;2-methylpropane;pyridine?
The IUPAC name of tert-butylbenzene;ethane;methane;2-methylpropane;pyridine (CID 162015945) is tert-butylbenzene;ethane;methane;2-methylpropane;pyridine.
What is the SMILES notation for tert-butylbenzene;ethane;methane;2-methylpropane;pyridine?
The canonical SMILES for tert-butylbenzene;ethane;methane;2-methylpropane;pyridine is C.CC.CC.CC(C)(C)c1ccccc1.CC(C)C.c1ccncc1.
What is the InChIKey of tert-butylbenzene;ethane;methane;2-methylpropane;pyridine?
The InChIKey is YUCJGZQYPQGATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C5H5N.C4H10.2C2H6.CH4/c1-10(2,3)9-7-5-4-6-8-9;1-2-4-6-5-3-1;1-4(2)3;2*1-2;/h4-8H,1-3H3;1-5H;4H,1-3H3;2*1-2H3;1H4.
What are the key properties of tert-butylbenzene;ethane;methane;2-methylpropane;pyridine?
tert-butylbenzene;ethane;methane;2-methylpropane;pyridine has a molecular weight of 347.63 g/mol, XLogP of 8.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;ethane;methane;2-methylpropane;pyridine is sourced from PubChem (CID 162015945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).