5,6-diethyl-1,5-dimethylcyclohexa-1,3-diene

C12H20 — CID 173469802

IUPAC5,6-diethyl-1,5-dimethylcyclohexa-1,3-diene
SMILESCCC1C(C)=CC=CC1(C)CC
InChIInChI=1S/C12H20/c1-5-11-10(3)8-7-9-12(11,4)6-2/h7-9,11H,5-6H2,1-4H3
InChIKeyLLEMFSPBDNNJEW-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.94
Rot. Bonds2

About 5,6-diethyl-1,5-dimethylcyclohexa-1,3-diene

5,6-diethyl-1,5-dimethylcyclohexa-1,3-diene (PubChem CID 173469802) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 5,6-diethyl-1,5-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5,6-diethyl-1,5-dimethylcyclohexa-1,3-diene
PubChem CID173469802
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name5,6-diethyl-1,5-dimethylcyclohexa-1,3-diene
SMILESCCC1C(C)=CC=CC1(C)CC
InChIInChI=1S/C12H20/c1-5-11-10(3)8-7-9-12(11,4)6-2/h7-9,11H,5-6H2,1-4H3
InChIKeyLLEMFSPBDNNJEW-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-1,5-dimethylcyclohexa-1,3-diene?
The IUPAC name of 5,6-diethyl-1,5-dimethylcyclohexa-1,3-diene (CID 173469802) is 5,6-diethyl-1,5-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 5,6-diethyl-1,5-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 5,6-diethyl-1,5-dimethylcyclohexa-1,3-diene is CCC1C(C)=CC=CC1(C)CC.
What is the InChIKey of 5,6-diethyl-1,5-dimethylcyclohexa-1,3-diene?
The InChIKey is LLEMFSPBDNNJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-5-11-10(3)8-7-9-12(11,4)6-2/h7-9,11H,5-6H2,1-4H3.
What are the key properties of 5,6-diethyl-1,5-dimethylcyclohexa-1,3-diene?
5,6-diethyl-1,5-dimethylcyclohexa-1,3-diene has a molecular weight of 164.29 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-1,5-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 173469802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).