5-ethyl-2,5,6-trimethylcyclohexa-1,3-diene

C11H18 — CID 173459336

IUPAC5-ethyl-2,5,6-trimethylcyclohexa-1,3-diene
SMILESCCC1(C)C=CC(C)=CC1C
InChIInChI=1S/C11H18/c1-5-11(4)7-6-9(2)8-10(11)3/h6-8,10H,5H2,1-4H3
InChIKeyWGKUXRQHQHVRLN-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.55
Rot. Bonds1

About 5-ethyl-2,5,6-trimethylcyclohexa-1,3-diene

5-ethyl-2,5,6-trimethylcyclohexa-1,3-diene (PubChem CID 173459336) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 5-ethyl-2,5,6-trimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethyl-2,5,6-trimethylcyclohexa-1,3-diene
PubChem CID173459336
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name5-ethyl-2,5,6-trimethylcyclohexa-1,3-diene
SMILESCCC1(C)C=CC(C)=CC1C
InChIInChI=1S/C11H18/c1-5-11(4)7-6-9(2)8-10(11)3/h6-8,10H,5H2,1-4H3
InChIKeyWGKUXRQHQHVRLN-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,5,6-trimethylcyclohexa-1,3-diene?
The IUPAC name of 5-ethyl-2,5,6-trimethylcyclohexa-1,3-diene (CID 173459336) is 5-ethyl-2,5,6-trimethylcyclohexa-1,3-diene.
What is the SMILES notation for 5-ethyl-2,5,6-trimethylcyclohexa-1,3-diene?
The canonical SMILES for 5-ethyl-2,5,6-trimethylcyclohexa-1,3-diene is CCC1(C)C=CC(C)=CC1C.
What is the InChIKey of 5-ethyl-2,5,6-trimethylcyclohexa-1,3-diene?
The InChIKey is WGKUXRQHQHVRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-5-11(4)7-6-9(2)8-10(11)3/h6-8,10H,5H2,1-4H3.
What are the key properties of 5-ethyl-2,5,6-trimethylcyclohexa-1,3-diene?
5-ethyl-2,5,6-trimethylcyclohexa-1,3-diene has a molecular weight of 150.26 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,5,6-trimethylcyclohexa-1,3-diene is sourced from PubChem (CID 173459336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).