ethane;2-methylprop-1-ene;1,2,4,5-tetramethylbenzene

C18H34 — CID 166473604

IUPACethane;2-methylprop-1-ene;1,2,4,5-tetramethylbenzene
SMILESC=C(C)C.CC.CC.Cc1cc(C)c(C)cc1C
InChIInChI=1S/C10H14.C4H8.2C2H6/c1-7-5-9(3)10(4)6-8(7)2;1-4(2)3;2*1-2/h5-6H,1-4H3;1H2,2-3H3;2*1-2H3
InChIKeyLEGJTLBYGLKTRR-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.56
Rot. Bonds

About ethane;2-methylprop-1-ene;1,2,4,5-tetramethylbenzene

ethane;2-methylprop-1-ene;1,2,4,5-tetramethylbenzene (PubChem CID 166473604) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is ethane;2-methylprop-1-ene;1,2,4,5-tetramethylbenzene.

Molecular Properties

Compound Nameethane;2-methylprop-1-ene;1,2,4,5-tetramethylbenzene
PubChem CID166473604
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Nameethane;2-methylprop-1-ene;1,2,4,5-tetramethylbenzene
SMILESC=C(C)C.CC.CC.Cc1cc(C)c(C)cc1C
InChIInChI=1S/C10H14.C4H8.2C2H6/c1-7-5-9(3)10(4)6-8(7)2;1-4(2)3;2*1-2/h5-6H,1-4H3;1H2,2-3H3;2*1-2H3
InChIKeyLEGJTLBYGLKTRR-UHFFFAOYSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.56
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

ethane;1,2,4-trimethyl-5-prop-1-en-2-ylbenzene
CID 163218853
ethane;methane;1,2,4,5-tetramethylbenzene
CID 144520627
methane;1,2,4,5-tetramethylbenzene
CID 162125793
1-[(1E)-2,3-dimethylbuta-1,3-dienyl]-2,4,5-trimethylbenzene;ethane
CID 145367667
ethane;tris(2-methylprop-1-ene)
CID 144520420
ethane;1,2,3,5-tetramethyl-4-prop-1-en-2-ylbenzene
CID 142349539
1-(2,4,5-trimethylphenyl)ethenamine
CID 134277556
calcium;1,2,4,5-tetramethylbenzene;dichloride
CID 174947669
2,4-dimethyl-5-prop-1-en-2-ylaniline;ethane
CID 177043564
1-(3,3-dimethylbut-1-en-2-yl)-2,4,5-trimethylbenzene
CID 100987679
2,4-dimethyl-5-prop-1-en-2-ylbenzenethiol
CID 142349679
2-methylprop-1-ene;1,2,5-trimethyl-3-prop-1-en-2-ylbenzene
CID 145154814

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylprop-1-ene;1,2,4,5-tetramethylbenzene?
The IUPAC name of ethane;2-methylprop-1-ene;1,2,4,5-tetramethylbenzene (CID 166473604) is ethane;2-methylprop-1-ene;1,2,4,5-tetramethylbenzene.
What is the SMILES notation for ethane;2-methylprop-1-ene;1,2,4,5-tetramethylbenzene?
The canonical SMILES for ethane;2-methylprop-1-ene;1,2,4,5-tetramethylbenzene is C=C(C)C.CC.CC.Cc1cc(C)c(C)cc1C.
What is the InChIKey of ethane;2-methylprop-1-ene;1,2,4,5-tetramethylbenzene?
The InChIKey is LEGJTLBYGLKTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C4H8.2C2H6/c1-7-5-9(3)10(4)6-8(7)2;1-4(2)3;2*1-2/h5-6H,1-4H3;1H2,2-3H3;2*1-2H3.
What are the key properties of ethane;2-methylprop-1-ene;1,2,4,5-tetramethylbenzene?
ethane;2-methylprop-1-ene;1,2,4,5-tetramethylbenzene has a molecular weight of 250.47 g/mol, XLogP of 6.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylprop-1-ene;1,2,4,5-tetramethylbenzene is sourced from PubChem (CID 166473604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).