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

C12H20 — CID 123748890

IUPAC6-ethyl-1,2,3,5-tetramethylcyclohexa-1,3-diene
SMILESCCC1C(C)=C(C)C(C)=CC1C
InChIInChI=1S/C12H20/c1-6-12-9(3)7-8(2)10(4)11(12)5/h7,9,12H,6H2,1-5H3
InChIKeyVFWSLSFOWVMEOL-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.94
Rot. Bonds1

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

6-ethyl-1,2,3,5-tetramethylcyclohexa-1,3-diene (PubChem CID 123748890) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 6-ethyl-1,2,3,5-tetramethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-ethyl-1,2,3,5-tetramethylcyclohexa-1,3-diene
PubChem CID123748890
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name6-ethyl-1,2,3,5-tetramethylcyclohexa-1,3-diene
SMILESCCC1C(C)=C(C)C(C)=CC1C
InChIInChI=1S/C12H20/c1-6-12-9(3)7-8(2)10(4)11(12)5/h7,9,12H,6H2,1-5H3
InChIKeyVFWSLSFOWVMEOL-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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 6-ethyl-1,2,3,5-tetramethylcyclohexa-1,3-diene?
The IUPAC name of 6-ethyl-1,2,3,5-tetramethylcyclohexa-1,3-diene (CID 123748890) is 6-ethyl-1,2,3,5-tetramethylcyclohexa-1,3-diene.
What is the SMILES notation for 6-ethyl-1,2,3,5-tetramethylcyclohexa-1,3-diene?
The canonical SMILES for 6-ethyl-1,2,3,5-tetramethylcyclohexa-1,3-diene is CCC1C(C)=C(C)C(C)=CC1C.
What is the InChIKey of 6-ethyl-1,2,3,5-tetramethylcyclohexa-1,3-diene?
The InChIKey is VFWSLSFOWVMEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-6-12-9(3)7-8(2)10(4)11(12)5/h7,9,12H,6H2,1-5H3.
What are the key properties of 6-ethyl-1,2,3,5-tetramethylcyclohexa-1,3-diene?
6-ethyl-1,2,3,5-tetramethylcyclohexa-1,3-diene has a molecular weight of 164.29 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,2,3,5-tetramethylcyclohexa-1,3-diene is sourced from PubChem (CID 123748890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).