ethylbenzene;methane;propane;toluene

C28H46 — CID 159984760

IUPACethylbenzene;methane;propane;toluene
SMILESC.C.C.CCC.CCc1ccccc1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C8H10.2C7H8.C3H8.3CH4/c1-2-8-6-4-3-5-7-8;2*1-7-5-3-2-4-6-7;1-3-2;;;/h3-7H,2H2,1H3;2*2-6H,1H3;3H2,1-2H3;3*1H4
InChIKeyOGEQSAGHEMSFLX-UHFFFAOYSA-N
MW382.68 g/mol
LogP9.56
Rot. Bonds1

About ethylbenzene;methane;propane;toluene

ethylbenzene;methane;propane;toluene (PubChem CID 159984760) has the molecular formula C28H46 and a molecular weight of 382.68 g/mol. Its IUPAC name is ethylbenzene;methane;propane;toluene.

Molecular Properties

Compound Nameethylbenzene;methane;propane;toluene
PubChem CID159984760
Molecular FormulaC28H46
Molecular Weight382.68 g/mol
Exact Mass382.36
IUPAC Nameethylbenzene;methane;propane;toluene
SMILESC.C.C.CCC.CCc1ccccc1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C8H10.2C7H8.C3H8.3CH4/c1-2-8-6-4-3-5-7-8;2*1-7-5-3-2-4-6-7;1-3-2;;;/h3-7H,2H2,1H3;2*2-6H,1H3;3H2,1-2H3;3*1H4
InChIKeyOGEQSAGHEMSFLX-UHFFFAOYSA-N
XLogP9.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.68
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 123858491
ethylbenzene;methylsulfanylmethane;toluene
CID 91366881
8-ethyl-1,3-dimethylcyclotetradeca-1,3,5,7,9,11,13-heptaene
CID 91350329
ethylbenzene;propane;hydroiodide
CID 142182216
ethane;ethylbenzene;propane
CID 91199618
propane;toluene
CID 91364516
propane;toluene
CID 91263172
benzene;propane;toluene
CID 91053661
ethylcyclodecapentaene
CID 90861705
benzylbenzene;propane;toluene
CID 90753545

Frequently Asked Questions

What is the IUPAC name of ethylbenzene;methane;propane;toluene?
The IUPAC name of ethylbenzene;methane;propane;toluene (CID 159984760) is ethylbenzene;methane;propane;toluene.
What is the SMILES notation for ethylbenzene;methane;propane;toluene?
The canonical SMILES for ethylbenzene;methane;propane;toluene is C.C.C.CCC.CCc1ccccc1.Cc1ccccc1.Cc1ccccc1.
What is the InChIKey of ethylbenzene;methane;propane;toluene?
The InChIKey is OGEQSAGHEMSFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.2C7H8.C3H8.3CH4/c1-2-8-6-4-3-5-7-8;2*1-7-5-3-2-4-6-7;1-3-2;;;/h3-7H,2H2,1H3;2*2-6H,1H3;3H2,1-2H3;3*1H4.
What are the key properties of ethylbenzene;methane;propane;toluene?
ethylbenzene;methane;propane;toluene has a molecular weight of 382.68 g/mol, XLogP of 9.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;methane;propane;toluene is sourced from PubChem (CID 159984760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).