butane;ethane;1,2,4-trimethylbenzene

C19H38 — CID 143613706

IUPACbutane;ethane;1,2,4-trimethylbenzene
SMILESCC.CCCC.CCCC.Cc1ccc(C)c(C)c1
InChIInChI=1S/C9H12.2C4H10.C2H6/c1-7-4-5-8(2)9(3)6-7;2*1-3-4-2;1-2/h4-6H,1-3H3;2*3-4H2,1-2H3;1-2H3
InChIKeyLFCGRDQPUDPUFA-UHFFFAOYSA-N
MW266.51 g/mol
LogP7.25
Rot. Bonds2

About butane;ethane;1,2,4-trimethylbenzene

butane;ethane;1,2,4-trimethylbenzene (PubChem CID 143613706) has the molecular formula C19H38 and a molecular weight of 266.51 g/mol. Its IUPAC name is butane;ethane;1,2,4-trimethylbenzene.

Molecular Properties

Compound Namebutane;ethane;1,2,4-trimethylbenzene
PubChem CID143613706
Molecular FormulaC19H38
Molecular Weight266.51 g/mol
Exact Mass266.30
IUPAC Namebutane;ethane;1,2,4-trimethylbenzene
SMILESCC.CCCC.CCCC.Cc1ccc(C)c(C)c1
InChIInChI=1S/C9H12.2C4H10.C2H6/c1-7-4-5-8(2)9(3)6-7;2*1-3-4-2;1-2/h4-6H,1-3H3;2*3-4H2,1-2H3;1-2H3
InChIKeyLFCGRDQPUDPUFA-UHFFFAOYSA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.51
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;propane;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 144816879
1,2,4-trimethylbenzene
CID 7247
ethane;fluoromethane;1,2,4-trimethylbenzene
CID 143343895
ethane;ethene;methane;1,2,4-trimethylbenzene
CID 144526220
azane;1,2,4-trimethylbenzene;hydrochloride
CID 174988554
1-butoxybutane;1,2,4-trimethylbenzene
CID 90311214
formonitrile;1,2,4-trimethylbenzene
CID 90728107
but-1-ene;ethane;hex-1-ene;1,2,4-trimethylbenzene
CID 144521975
1,2,3,5-tetramethylbenzene;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 157447220
1,2-difluoro-4-methylbenzene;ethane;1,2,4-trimethylbenzene
CID 143200247
butane;ethane;propane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene;bis(1,2-xylene)
CID 157062114
2-butyl-1,4-dimethylbenzene;ethane;ethene
CID 177226937

Frequently Asked Questions

What is the IUPAC name of butane;ethane;1,2,4-trimethylbenzene?
The IUPAC name of butane;ethane;1,2,4-trimethylbenzene (CID 143613706) is butane;ethane;1,2,4-trimethylbenzene.
What is the SMILES notation for butane;ethane;1,2,4-trimethylbenzene?
The canonical SMILES for butane;ethane;1,2,4-trimethylbenzene is CC.CCCC.CCCC.Cc1ccc(C)c(C)c1.
What is the InChIKey of butane;ethane;1,2,4-trimethylbenzene?
The InChIKey is LFCGRDQPUDPUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.2C4H10.C2H6/c1-7-4-5-8(2)9(3)6-7;2*1-3-4-2;1-2/h4-6H,1-3H3;2*3-4H2,1-2H3;1-2H3.
What are the key properties of butane;ethane;1,2,4-trimethylbenzene?
butane;ethane;1,2,4-trimethylbenzene has a molecular weight of 266.51 g/mol, XLogP of 7.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;1,2,4-trimethylbenzene is sourced from PubChem (CID 143613706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).