7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene

C11H12 — CID 2753008

IUPAC7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene
SMILESC=CC1(C)Cc2ccccc21
InChIInChI=1S/C11H12/c1-3-11(2)8-9-6-4-5-7-10(9)11/h3-7H,1,8H2,2H3
InChIKeyGDZATTDLLHPFOS-UHFFFAOYSA-N
MW144.22 g/mol
LogP2.69
Rot. Bonds1

About 7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene

7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene (PubChem CID 2753008) has the molecular formula C11H12 and a molecular weight of 144.22 g/mol. Its IUPAC name is 7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene.

Molecular Properties

Compound Name7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene
PubChem CID2753008
Molecular FormulaC11H12
Molecular Weight144.22 g/mol
Exact Mass144.09
IUPAC Name7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene
SMILESC=CC1(C)Cc2ccccc21
InChIInChI=1S/C11H12/c1-3-11(2)8-9-6-4-5-7-10(9)11/h3-7H,1,8H2,2H3
InChIKeyGDZATTDLLHPFOS-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(7R)-7-prop-2-enylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
CID 100988172
3-methyl-3-prop-2-enyl-1,2-dihydroindene
CID 85427456
3-ethenyl-3-methyl-1,2-dihydroinden-1-ol
CID 130142583
2-ethenyl-2-ethyl-1,3-dihydroindene
CID 174620320
7-methyl-7-(trifluoromethyl)bicyclo[4.2.0]octa-1,3,5-triene
CID 178118507
7-prop-1-en-2-ylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
CID 10103432
(7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine;hydrochloride
CID 167717873
7,7-difluorobicyclo[4.2.0]octa-1,3,5-triene
CID 168862881
3a,8b-dimethyl-1,2,3,4-tetrahydroindeno[1,2-b]pyrrole;hydrochloride
CID 68503022
benzene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 173031980
spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-diazirine]
CID 10749210
(1R,2R)-2-ethyl-1,2-dimethyl-3H-inden-1-amine;hydrochloride
CID 67389496

Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene?
The IUPAC name of 7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene (CID 2753008) is 7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene.
What is the SMILES notation for 7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene?
The canonical SMILES for 7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene is C=CC1(C)Cc2ccccc21.
What is the InChIKey of 7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene?
The InChIKey is GDZATTDLLHPFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12/c1-3-11(2)8-9-6-4-5-7-10(9)11/h3-7H,1,8H2,2H3.
What are the key properties of 7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene?
7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene has a molecular weight of 144.22 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene is sourced from PubChem (CID 2753008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).