1,3,5,7-tetramethylcycloocta-1,3,5,7-tetraene

C12H16 — CID 71446841

IUPAC1,3,5,7-tetramethylcycloocta-1,3,5,7-tetraene
SMILESCC1=CC(C)=CC(C)=CC(C)=C1
InChIInChI=1S/C12H16/c1-9-5-10(2)7-12(4)8-11(3)6-9/h5-8H,1-4H3
InChIKeyXKORXPJTRSPQHR-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.79
Rot. Bonds

About 1,3,5,7-tetramethylcycloocta-1,3,5,7-tetraene

1,3,5,7-tetramethylcycloocta-1,3,5,7-tetraene (PubChem CID 71446841) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1,3,5,7-tetramethylcycloocta-1,3,5,7-tetraene.

Molecular Properties

Compound Name1,3,5,7-tetramethylcycloocta-1,3,5,7-tetraene
PubChem CID71446841
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name1,3,5,7-tetramethylcycloocta-1,3,5,7-tetraene
SMILESCC1=CC(C)=CC(C)=CC(C)=C1
InChIInChI=1S/C12H16/c1-9-5-10(2)7-12(4)8-11(3)6-9/h5-8H,1-4H3
InChIKeyXKORXPJTRSPQHR-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,7-tetramethylcycloocta-1,3,5,7-tetraene?
The IUPAC name of 1,3,5,7-tetramethylcycloocta-1,3,5,7-tetraene (CID 71446841) is 1,3,5,7-tetramethylcycloocta-1,3,5,7-tetraene.
What is the SMILES notation for 1,3,5,7-tetramethylcycloocta-1,3,5,7-tetraene?
The canonical SMILES for 1,3,5,7-tetramethylcycloocta-1,3,5,7-tetraene is CC1=CC(C)=CC(C)=CC(C)=C1.
What is the InChIKey of 1,3,5,7-tetramethylcycloocta-1,3,5,7-tetraene?
The InChIKey is XKORXPJTRSPQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-9-5-10(2)7-12(4)8-11(3)6-9/h5-8H,1-4H3.
What are the key properties of 1,3,5,7-tetramethylcycloocta-1,3,5,7-tetraene?
1,3,5,7-tetramethylcycloocta-1,3,5,7-tetraene has a molecular weight of 160.26 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7-tetramethylcycloocta-1,3,5,7-tetraene is sourced from PubChem (CID 71446841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).