ethane;ethylbenzene;propylbenzene

C32H52 — CID 153343160

IUPACethane;ethylbenzene;propylbenzene
SMILESCC.CC.CC.CCCc1ccccc1.CCCc1ccccc1.CCc1ccccc1
InChIInChI=1S/2C9H12.C8H10.3C2H6/c2*1-2-6-9-7-4-3-5-8-9;1-2-8-6-4-3-5-7-8;3*1-2/h2*3-5,7-8H,2,6H2,1H3;3-7H,2H2,1H3;3*1-2H3
InChIKeyDWPAXHCKHFXLCE-UHFFFAOYSA-N
MW436.77 g/mol
LogP10.61
Rot. Bonds5

About ethane;ethylbenzene;propylbenzene

ethane;ethylbenzene;propylbenzene (PubChem CID 153343160) has the molecular formula C32H52 and a molecular weight of 436.77 g/mol. Its IUPAC name is ethane;ethylbenzene;propylbenzene.

Molecular Properties

Compound Nameethane;ethylbenzene;propylbenzene
PubChem CID153343160
Molecular FormulaC32H52
Molecular Weight436.77 g/mol
Exact Mass436.41
IUPAC Nameethane;ethylbenzene;propylbenzene
SMILESCC.CC.CC.CCCc1ccccc1.CCCc1ccccc1.CCc1ccccc1
InChIInChI=1S/2C9H12.C8H10.3C2H6/c2*1-2-6-9-7-4-3-5-8-9;1-2-8-6-4-3-5-7-8;3*1-2/h2*3-5,7-8H,2,6H2,1H3;3-7H,2H2,1H3;3*1-2H3
InChIKeyDWPAXHCKHFXLCE-UHFFFAOYSA-N
XLogP10.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.77
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;ethylbenzene;propylbenzene
CID 144852867
propylbenzene tetraiodide
CID 23321652
propylbenzene;hydrobromide
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CID 90887003
carbanide;ethane;lanthanum;propane;propylbenzene
CID 161064679
1-bromopropane;propylbenzene
CID 158382353
potassium;hydride;propylbenzene
CID 174749122
ethane;ethylbenzene;propane
CID 91199618
ethylcyclodecapentaene
CID 90861705
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CID 90833594
ethylbenzene;molybdenum
CID 161189179
sulfanium ethylbenzene
CID 22726309

Frequently Asked Questions

What is the IUPAC name of ethane;ethylbenzene;propylbenzene?
The IUPAC name of ethane;ethylbenzene;propylbenzene (CID 153343160) is ethane;ethylbenzene;propylbenzene.
What is the SMILES notation for ethane;ethylbenzene;propylbenzene?
The canonical SMILES for ethane;ethylbenzene;propylbenzene is CC.CC.CC.CCCc1ccccc1.CCCc1ccccc1.CCc1ccccc1.
What is the InChIKey of ethane;ethylbenzene;propylbenzene?
The InChIKey is DWPAXHCKHFXLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H12.C8H10.3C2H6/c2*1-2-6-9-7-4-3-5-8-9;1-2-8-6-4-3-5-7-8;3*1-2/h2*3-5,7-8H,2,6H2,1H3;3-7H,2H2,1H3;3*1-2H3.
What are the key properties of ethane;ethylbenzene;propylbenzene?
ethane;ethylbenzene;propylbenzene has a molecular weight of 436.77 g/mol, XLogP of 10.61, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethylbenzene;propylbenzene is sourced from PubChem (CID 153343160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).