ethene;2-methylpropane;1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene

C25H40 — CID 144914268

IUPACethene;2-methylpropane;1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene
SMILESC=C.CC(C)C.Cc1cc(C)c(C)cc1C.Cc1ccc(C)c(C)c1
InChIInChI=1S/C10H14.C9H12.C4H10.C2H4/c1-7-5-9(3)10(4)6-8(7)2;1-7-4-5-8(2)9(3)6-7;1-4(2)3;1-2/h5-6H,1-4H3;4-6H,1-3H3;4H,1-3H3;1-2H2
InChIKeyILTDRYHFTNDFPI-UHFFFAOYSA-N
MW340.60 g/mol
LogP8.00
Rot. Bonds

About ethene;2-methylpropane;1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene

ethene;2-methylpropane;1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene (PubChem CID 144914268) has the molecular formula C25H40 and a molecular weight of 340.60 g/mol. Its IUPAC name is ethene;2-methylpropane;1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene.

Molecular Properties

Compound Nameethene;2-methylpropane;1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene
PubChem CID144914268
Molecular FormulaC25H40
Molecular Weight340.60 g/mol
Exact Mass340.31
IUPAC Nameethene;2-methylpropane;1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene
SMILESC=C.CC(C)C.Cc1cc(C)c(C)cc1C.Cc1ccc(C)c(C)c1
InChIInChI=1S/C10H14.C9H12.C4H10.C2H4/c1-7-5-9(3)10(4)6-8(7)2;1-7-4-5-8(2)9(3)6-7;1-4(2)3;1-2/h5-6H,1-4H3;4-6H,1-3H3;4H,1-3H3;1-2H2
InChIKeyILTDRYHFTNDFPI-UHFFFAOYSA-N
XLogP8.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.60
LogP ≤ 58.00
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

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1,2,4-trimethylbenzene
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3-hydroxybutan-2-one;1,2,4-trimethylbenzene
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CID 144816879
butane;ethane;1,2,4-trimethylbenzene
CID 143613706
1,2,3,5-tetramethylbenzene;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 157447220
1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene
CID 143923034
2-but-1-en-2-yl-1,4-dimethylbenzene;ethane;2-methylbut-1-ene;2-methylpropane;1,2,4-trimethylbenzene
CID 142019907
methyl formate;1,2,4-trimethylbenzene
CID 143881724

Frequently Asked Questions

What is the IUPAC name of ethene;2-methylpropane;1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene?
The IUPAC name of ethene;2-methylpropane;1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene (CID 144914268) is ethene;2-methylpropane;1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene.
What is the SMILES notation for ethene;2-methylpropane;1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene?
The canonical SMILES for ethene;2-methylpropane;1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene is C=C.CC(C)C.Cc1cc(C)c(C)cc1C.Cc1ccc(C)c(C)c1.
What is the InChIKey of ethene;2-methylpropane;1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene?
The InChIKey is ILTDRYHFTNDFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C9H12.C4H10.C2H4/c1-7-5-9(3)10(4)6-8(7)2;1-7-4-5-8(2)9(3)6-7;1-4(2)3;1-2/h5-6H,1-4H3;4-6H,1-3H3;4H,1-3H3;1-2H2.
What are the key properties of ethene;2-methylpropane;1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene?
ethene;2-methylpropane;1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene has a molecular weight of 340.60 g/mol, XLogP of 8.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-methylpropane;1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene is sourced from PubChem (CID 144914268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).