1-ethyl-2-methylbenzene;propane;toluene

C19H28 — CID 159725880

IUPAC1-ethyl-2-methylbenzene;propane;toluene
SMILESCCC.CCc1ccccc1C.Cc1ccccc1
InChIInChI=1S/C9H12.C7H8.C3H8/c1-3-9-7-5-4-6-8(9)2;1-7-5-3-2-4-6-7;1-3-2/h4-7H,3H2,1-2H3;2-6H,1H3;3H2,1-2H3
InChIKeyNAPWXMWFMAGVLS-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.97
Rot. Bonds1

About 1-ethyl-2-methylbenzene;propane;toluene

1-ethyl-2-methylbenzene;propane;toluene (PubChem CID 159725880) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-ethyl-2-methylbenzene;propane;toluene.

Molecular Properties

Compound Name1-ethyl-2-methylbenzene;propane;toluene
PubChem CID159725880
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Name1-ethyl-2-methylbenzene;propane;toluene
SMILESCCC.CCc1ccccc1C.Cc1ccccc1
InChIInChI=1S/C9H12.C7H8.C3H8/c1-3-9-7-5-4-6-8(9)2;1-7-5-3-2-4-6-7;1-3-2/h4-7H,3H2,1-2H3;2-6H,1H3;3H2,1-2H3
InChIKeyNAPWXMWFMAGVLS-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methylbenzene;propane;toluene?
The IUPAC name of 1-ethyl-2-methylbenzene;propane;toluene (CID 159725880) is 1-ethyl-2-methylbenzene;propane;toluene.
What is the SMILES notation for 1-ethyl-2-methylbenzene;propane;toluene?
The canonical SMILES for 1-ethyl-2-methylbenzene;propane;toluene is CCC.CCc1ccccc1C.Cc1ccccc1.
What is the InChIKey of 1-ethyl-2-methylbenzene;propane;toluene?
The InChIKey is NAPWXMWFMAGVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C7H8.C3H8/c1-3-9-7-5-4-6-8(9)2;1-7-5-3-2-4-6-7;1-3-2/h4-7H,3H2,1-2H3;2-6H,1H3;3H2,1-2H3.
What are the key properties of 1-ethyl-2-methylbenzene;propane;toluene?
1-ethyl-2-methylbenzene;propane;toluene has a molecular weight of 256.43 g/mol, XLogP of 5.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylbenzene;propane;toluene is sourced from PubChem (CID 159725880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).