7-ethenylbicyclo[4.2.0]octa-1,3,5-triene;hexa-1,4-diene

C16H20 — CID 160724552

IUPAC7-ethenylbicyclo[4.2.0]octa-1,3,5-triene;hexa-1,4-diene
SMILESC=CC1Cc2ccccc21.C=CCC=CC
InChIInChI=1S/C10H10.C6H10/c1-2-8-7-9-5-3-4-6-10(8)9;1-3-5-6-4-2/h2-6,8H,1,7H2;3-4,6H,1,5H2,2H3
InChIKeyRTNOWYIWKYKXDB-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.65
Rot. Bonds3

About 7-ethenylbicyclo[4.2.0]octa-1,3,5-triene;hexa-1,4-diene

7-ethenylbicyclo[4.2.0]octa-1,3,5-triene;hexa-1,4-diene (PubChem CID 160724552) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 7-ethenylbicyclo[4.2.0]octa-1,3,5-triene;hexa-1,4-diene.

Molecular Properties

Compound Name7-ethenylbicyclo[4.2.0]octa-1,3,5-triene;hexa-1,4-diene
PubChem CID160724552
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name7-ethenylbicyclo[4.2.0]octa-1,3,5-triene;hexa-1,4-diene
SMILESC=CC1Cc2ccccc21.C=CCC=CC
InChIInChI=1S/C10H10.C6H10/c1-2-8-7-9-5-3-4-6-10(8)9;1-3-5-6-4-2/h2-6,8H,1,7H2;3-4,6H,1,5H2,2H3
InChIKeyRTNOWYIWKYKXDB-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.65
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

hexa-1,4-diene;hydrate
CID 162019515
2-ethenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 168728590
N-prop-2-enyl-9,10-dihydroanthracen-9-amine
CID 62919908
CID 15963515
CID 15963515
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pent-4-en-2-ol
CID 116659873
2-methylidene-3H-1-benzofuran;(Z)-pent-2-ene
CID 142896770
(E)-3-[(3R)-3-ethenyl-2,3-dihydro-1H-inden-1-yl]prop-2-en-1-ol
CID 144746832
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
(17S)-9-[(E)-but-2-enyl]-17-methyl-9-azoniatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene
CID 101397838
methyl (1S,3S)-3-prop-2-enyl-3,4-dihydro-1H-isochromene-1-carboxylate
CID 10513746
(1S,2S)-2-[(E)-but-2-enyl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 101152494
dodeca-1,4,10-triene
CID 174048310

Frequently Asked Questions

What is the IUPAC name of 7-ethenylbicyclo[4.2.0]octa-1,3,5-triene;hexa-1,4-diene?
The IUPAC name of 7-ethenylbicyclo[4.2.0]octa-1,3,5-triene;hexa-1,4-diene (CID 160724552) is 7-ethenylbicyclo[4.2.0]octa-1,3,5-triene;hexa-1,4-diene.
What is the SMILES notation for 7-ethenylbicyclo[4.2.0]octa-1,3,5-triene;hexa-1,4-diene?
The canonical SMILES for 7-ethenylbicyclo[4.2.0]octa-1,3,5-triene;hexa-1,4-diene is C=CC1Cc2ccccc21.C=CCC=CC.
What is the InChIKey of 7-ethenylbicyclo[4.2.0]octa-1,3,5-triene;hexa-1,4-diene?
The InChIKey is RTNOWYIWKYKXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10.C6H10/c1-2-8-7-9-5-3-4-6-10(8)9;1-3-5-6-4-2/h2-6,8H,1,7H2;3-4,6H,1,5H2,2H3.
What are the key properties of 7-ethenylbicyclo[4.2.0]octa-1,3,5-triene;hexa-1,4-diene?
7-ethenylbicyclo[4.2.0]octa-1,3,5-triene;hexa-1,4-diene has a molecular weight of 212.34 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenylbicyclo[4.2.0]octa-1,3,5-triene;hexa-1,4-diene is sourced from PubChem (CID 160724552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).