bicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene

C14H14 — CID 175075360

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene
SMILESCCc1ccccc1.c1cc2ccc1-2
InChIInChI=1S/C8H10.C6H4/c1-2-8-6-4-3-5-7-8;1-2-6-4-3-5(1)6/h3-7H,2H2,1H3;1-4H
InChIKeyBZLDUTPTYLJHHX-UHFFFAOYSA-N
MW182.27 g/mol
LogP3.92
Rot. Bonds1

About bicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene

bicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene (PubChem CID 175075360) has the molecular formula C14H14 and a molecular weight of 182.27 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene
PubChem CID175075360
Molecular FormulaC14H14
Molecular Weight182.27 g/mol
Exact Mass182.11
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene
SMILESCCc1ccccc1.c1cc2ccc1-2
InChIInChI=1S/C8H10.C6H4/c1-2-8-6-4-3-5-7-8;1-2-6-4-3-5(1)6/h3-7H,2H2,1H3;1-4H
InChIKeyBZLDUTPTYLJHHX-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethylcyclodecapentaene
CID 90861705
sulfanium ethylbenzene
CID 22726309
ethane;ethylbenzene
CID 90887003
ethylbenzene;molybdenum
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ethane;1-ethyl-4-phenylbenzene;methane
CID 142852812
1,1'-biphenyl;ethylbenzene;naphthalene
CID 163537509
acetylene;1-ethyl-4-phenylbenzene
CID 175126841
ethylbenzene;propane;hydroiodide
CID 142182216
ethane;ethylbenzene;propane
CID 91199618
1-(4-ethylphenyl)-3,5-diphenylbenzene
CID 123998830
ethane;ethylbenzene;toluene
CID 159408087
ethane;ethylbenzene;methanol
CID 90833594

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene (CID 175075360) is bicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene is CCc1ccccc1.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene?
The InChIKey is BZLDUTPTYLJHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C6H4/c1-2-8-6-4-3-5-7-8;1-2-6-4-3-5(1)6/h3-7H,2H2,1H3;1-4H.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene?
bicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene has a molecular weight of 182.27 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene is sourced from PubChem (CID 175075360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).