ethane;ethylbenzene

C34H46 — CID 90887003

IUPACethane;ethylbenzene
SMILESCC.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1
InChIInChI=1S/4C8H10.C2H6/c4*1-2-8-6-4-3-5-7-8;1-2/h4*3-7H,2H2,1H3;1-2H3
InChIKeyOGEABCJLHJKENQ-UHFFFAOYSA-N
MW454.74 g/mol
LogP10.02
Rot. Bonds4

About ethane;ethylbenzene

ethane;ethylbenzene (PubChem CID 90887003) has the molecular formula C34H46 and a molecular weight of 454.74 g/mol. Its IUPAC name is ethane;ethylbenzene.

Molecular Properties

Compound Nameethane;ethylbenzene
PubChem CID90887003
Molecular FormulaC34H46
Molecular Weight454.74 g/mol
Exact Mass454.36
IUPAC Nameethane;ethylbenzene
SMILESCC.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1
InChIInChI=1S/4C8H10.C2H6/c4*1-2-8-6-4-3-5-7-8;1-2/h4*3-7H,2H2,1H3;1-2H3
InChIKeyOGEABCJLHJKENQ-UHFFFAOYSA-N
XLogP10.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.74
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;ethylbenzene;propane
CID 91199618
ethylcyclodecapentaene
CID 90861705
ethane;ethylbenzene;methanol
CID 90833594
ethylbenzene;molybdenum
CID 161189179
sulfanium ethylbenzene
CID 22726309
ethane;ethylbenzene;methoxymethane
CID 91307642
ethylbenzene;propane;hydroiodide
CID 142182216
ethane;ethylbenzene;toluene
CID 159408087
ethylazanium;ethylbenzene
CID 163634184
carbon monoxide;ethylbenzene
CID 158511344
bicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene
CID 175075360
acetylene;ethylbenzene;propane
CID 143490350

Frequently Asked Questions

What is the IUPAC name of ethane;ethylbenzene?
The IUPAC name of ethane;ethylbenzene (CID 90887003) is ethane;ethylbenzene.
What is the SMILES notation for ethane;ethylbenzene?
The canonical SMILES for ethane;ethylbenzene is CC.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.
What is the InChIKey of ethane;ethylbenzene?
The InChIKey is OGEABCJLHJKENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C8H10.C2H6/c4*1-2-8-6-4-3-5-7-8;1-2/h4*3-7H,2H2,1H3;1-2H3.
What are the key properties of ethane;ethylbenzene?
ethane;ethylbenzene has a molecular weight of 454.74 g/mol, XLogP of 10.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethylbenzene is sourced from PubChem (CID 90887003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).