2,3-bis(ethenyl)-5-methylcyclohexa-1,3-diene

C11H14 — CID 123379590

IUPAC2,3-bis(ethenyl)-5-methylcyclohexa-1,3-diene
SMILESC=CC1=CCC(C)C=C1C=C
InChIInChI=1S/C11H14/c1-4-10-7-6-9(3)8-11(10)5-2/h4-5,7-9H,1-2,6H2,3H3
InChIKeyFOJNCTGIJFGPPT-UHFFFAOYSA-N
MW146.23 g/mol
LogP3.25
Rot. Bonds2

About 2,3-bis(ethenyl)-5-methylcyclohexa-1,3-diene

2,3-bis(ethenyl)-5-methylcyclohexa-1,3-diene (PubChem CID 123379590) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2,3-bis(ethenyl)-5-methylcyclohexa-1,3-diene
PubChem CID123379590
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name2,3-bis(ethenyl)-5-methylcyclohexa-1,3-diene
SMILESC=CC1=CCC(C)C=C1C=C
InChIInChI=1S/C11H14/c1-4-10-7-6-9(3)8-11(10)5-2/h4-5,7-9H,1-2,6H2,3H3
InChIKeyFOJNCTGIJFGPPT-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,3-bis(ethenyl)-5-methylcyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-ethenyl-4-methylcyclohexa-1,5-dien-1-yl)methanimine
CID 142493166
2-[(1Z)-buta-1,3-dienyl]-3,5-dimethylcyclohexa-1,3-diene
CID 143422229
2,3,5,7-tetramethylcycloocta-1,3,5-triene
CID 123369024
3,6-dimethylcyclohexa-1,5-diene-1-carboxylic acid
CID 123404809
(E)-3-(6-bromo-3-methylcyclohexa-1,5-dien-1-yl)-N-hydroxyprop-2-enamide
CID 88913217
1-(6-ethenylcyclohexa-1,5-dien-1-yl)ethenol
CID 89328254
2-amino-5-ethenyl-2,3-dihydropyran-6-one
CID 163933050
3-ethenyl-4-methylcyclopentene
CID 143683311
2-ethenyl-5-ethyl-7-methyl-3-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene
CID 143203794
ethane;3-ethenyl-1,2-dimethylcyclohexa-1,3-diene
CID 143703255
(6R)-2,6-dimethyl-3,4,6,7-tetrahydro-1H-isoquinoline
CID 89023959
2-(3-ethylhex-5-enyl)-3,5-dimethylcyclohexa-1,3-diene
CID 146761415

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-5-methylcyclohexa-1,3-diene?
The IUPAC name of 2,3-bis(ethenyl)-5-methylcyclohexa-1,3-diene (CID 123379590) is 2,3-bis(ethenyl)-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for 2,3-bis(ethenyl)-5-methylcyclohexa-1,3-diene?
The canonical SMILES for 2,3-bis(ethenyl)-5-methylcyclohexa-1,3-diene is C=CC1=CCC(C)C=C1C=C.
What is the InChIKey of 2,3-bis(ethenyl)-5-methylcyclohexa-1,3-diene?
The InChIKey is FOJNCTGIJFGPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14/c1-4-10-7-6-9(3)8-11(10)5-2/h4-5,7-9H,1-2,6H2,3H3.
What are the key properties of 2,3-bis(ethenyl)-5-methylcyclohexa-1,3-diene?
2,3-bis(ethenyl)-5-methylcyclohexa-1,3-diene has a molecular weight of 146.23 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 123379590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).