2-ethenyl-1,4,6-trimethylcyclohexa-1,3-diene

C11H16 — CID 155717423

IUPAC2-ethenyl-1,4,6-trimethylcyclohexa-1,3-diene
SMILESC=CC1=C(C)C(C)CC(C)=C1
InChIInChI=1S/C11H16/c1-5-11-7-8(2)6-9(3)10(11)4/h5,7,9H,1,6H2,2-4H3
InChIKeyBCHVZYIYCYXADT-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.47
Rot. Bonds1

About 2-ethenyl-1,4,6-trimethylcyclohexa-1,3-diene

2-ethenyl-1,4,6-trimethylcyclohexa-1,3-diene (PubChem CID 155717423) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 2-ethenyl-1,4,6-trimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-ethenyl-1,4,6-trimethylcyclohexa-1,3-diene
PubChem CID155717423
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name2-ethenyl-1,4,6-trimethylcyclohexa-1,3-diene
SMILESC=CC1=C(C)C(C)CC(C)=C1
InChIInChI=1S/C11H16/c1-5-11-7-8(2)6-9(3)10(11)4/h5,7,9H,1,6H2,2-4H3
InChIKeyBCHVZYIYCYXADT-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1,4,6-trimethylcyclohexa-1,3-diene?
The IUPAC name of 2-ethenyl-1,4,6-trimethylcyclohexa-1,3-diene (CID 155717423) is 2-ethenyl-1,4,6-trimethylcyclohexa-1,3-diene.
What is the SMILES notation for 2-ethenyl-1,4,6-trimethylcyclohexa-1,3-diene?
The canonical SMILES for 2-ethenyl-1,4,6-trimethylcyclohexa-1,3-diene is C=CC1=C(C)C(C)CC(C)=C1.
What is the InChIKey of 2-ethenyl-1,4,6-trimethylcyclohexa-1,3-diene?
The InChIKey is BCHVZYIYCYXADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-5-11-7-8(2)6-9(3)10(11)4/h5,7,9H,1,6H2,2-4H3.
What are the key properties of 2-ethenyl-1,4,6-trimethylcyclohexa-1,3-diene?
2-ethenyl-1,4,6-trimethylcyclohexa-1,3-diene has a molecular weight of 148.25 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,4,6-trimethylcyclohexa-1,3-diene is sourced from PubChem (CID 155717423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).