ethane;ethene;methane;1,2,4-trimethylbenzene

C20H46 — CID 144526220

IUPACethane;ethene;methane;1,2,4-trimethylbenzene
SMILESC.C.C.C=C.CC.CC.CC.Cc1ccc(C)c(C)c1
InChIInChI=1S/C9H12.3C2H6.C2H4.3CH4/c1-7-4-5-8(2)9(3)6-7;4*1-2;;;/h4-6H,1-3H3;3*1-2H3;1-2H2;3*1H4
InChIKeyVJLWZORZCRAHBN-UHFFFAOYSA-N
MW286.59 g/mol
LogP8.40
Rot. Bonds

About ethane;ethene;methane;1,2,4-trimethylbenzene

ethane;ethene;methane;1,2,4-trimethylbenzene (PubChem CID 144526220) has the molecular formula C20H46 and a molecular weight of 286.59 g/mol. Its IUPAC name is ethane;ethene;methane;1,2,4-trimethylbenzene.

Molecular Properties

Compound Nameethane;ethene;methane;1,2,4-trimethylbenzene
PubChem CID144526220
Molecular FormulaC20H46
Molecular Weight286.59 g/mol
Exact Mass286.36
IUPAC Nameethane;ethene;methane;1,2,4-trimethylbenzene
SMILESC.C.C.C=C.CC.CC.CC.Cc1ccc(C)c(C)c1
InChIInChI=1S/C9H12.3C2H6.C2H4.3CH4/c1-7-4-5-8(2)9(3)6-7;4*1-2;;;/h4-6H,1-3H3;3*1-2H3;1-2H2;3*1H4
InChIKeyVJLWZORZCRAHBN-UHFFFAOYSA-N
XLogP8.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.59
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2,4-trimethylbenzene
CID 7247
ethane;fluoromethane;1,2,4-trimethylbenzene
CID 143343895
ethene;2-methylpropane;1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene
CID 144914268
azane;1,2,4-trimethylbenzene;hydrochloride
CID 174988554
butane;ethane;1,2,4-trimethylbenzene
CID 143613706
ethane;propane;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 144816879
formonitrile;1,2,4-trimethylbenzene
CID 90728107
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
methane;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3-xylene
CID 158693883
1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene
CID 143923034
methyl formate;1,2,4-trimethylbenzene
CID 143881724

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;methane;1,2,4-trimethylbenzene?
The IUPAC name of ethane;ethene;methane;1,2,4-trimethylbenzene (CID 144526220) is ethane;ethene;methane;1,2,4-trimethylbenzene.
What is the SMILES notation for ethane;ethene;methane;1,2,4-trimethylbenzene?
The canonical SMILES for ethane;ethene;methane;1,2,4-trimethylbenzene is C.C.C.C=C.CC.CC.CC.Cc1ccc(C)c(C)c1.
What is the InChIKey of ethane;ethene;methane;1,2,4-trimethylbenzene?
The InChIKey is VJLWZORZCRAHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.3C2H6.C2H4.3CH4/c1-7-4-5-8(2)9(3)6-7;4*1-2;;;/h4-6H,1-3H3;3*1-2H3;1-2H2;3*1H4.
What are the key properties of ethane;ethene;methane;1,2,4-trimethylbenzene?
ethane;ethene;methane;1,2,4-trimethylbenzene has a molecular weight of 286.59 g/mol, XLogP of 8.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;methane;1,2,4-trimethylbenzene is sourced from PubChem (CID 144526220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).