1,3,5,5-tetramethylcyclohexa-1,3-diene;1,3,5-trimethylbenzene

C19H28 — CID 157288182

IUPAC1,3,5,5-tetramethylcyclohexa-1,3-diene;1,3,5-trimethylbenzene
SMILESCC1=CC(C)(C)CC(C)=C1.Cc1cc(C)cc(C)c1
InChIInChI=1S/C10H16.C9H12/c1-8-5-9(2)7-10(3,4)6-8;1-7-4-8(2)6-9(3)5-7/h5-6H,7H2,1-4H3;4-6H,1-3H3
InChIKeyBAMIGOWVXNBYOB-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.92
Rot. Bonds

About 1,3,5,5-tetramethylcyclohexa-1,3-diene;1,3,5-trimethylbenzene

1,3,5,5-tetramethylcyclohexa-1,3-diene;1,3,5-trimethylbenzene (PubChem CID 157288182) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is 1,3,5,5-tetramethylcyclohexa-1,3-diene;1,3,5-trimethylbenzene.

Molecular Properties

Compound Name1,3,5,5-tetramethylcyclohexa-1,3-diene;1,3,5-trimethylbenzene
PubChem CID157288182
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Name1,3,5,5-tetramethylcyclohexa-1,3-diene;1,3,5-trimethylbenzene
SMILESCC1=CC(C)(C)CC(C)=C1.Cc1cc(C)cc(C)c1
InChIInChI=1S/C10H16.C9H12/c1-8-5-9(2)7-10(3,4)6-8;1-7-4-8(2)6-9(3)5-7/h5-6H,7H2,1-4H3;4-6H,1-3H3
InChIKeyBAMIGOWVXNBYOB-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,5-tetramethylcyclohexa-1,3-diene;1,3,5-trimethylbenzene?
The IUPAC name of 1,3,5,5-tetramethylcyclohexa-1,3-diene;1,3,5-trimethylbenzene (CID 157288182) is 1,3,5,5-tetramethylcyclohexa-1,3-diene;1,3,5-trimethylbenzene.
What is the SMILES notation for 1,3,5,5-tetramethylcyclohexa-1,3-diene;1,3,5-trimethylbenzene?
The canonical SMILES for 1,3,5,5-tetramethylcyclohexa-1,3-diene;1,3,5-trimethylbenzene is CC1=CC(C)(C)CC(C)=C1.Cc1cc(C)cc(C)c1.
What is the InChIKey of 1,3,5,5-tetramethylcyclohexa-1,3-diene;1,3,5-trimethylbenzene?
The InChIKey is BAMIGOWVXNBYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.C9H12/c1-8-5-9(2)7-10(3,4)6-8;1-7-4-8(2)6-9(3)5-7/h5-6H,7H2,1-4H3;4-6H,1-3H3.
What are the key properties of 1,3,5,5-tetramethylcyclohexa-1,3-diene;1,3,5-trimethylbenzene?
1,3,5,5-tetramethylcyclohexa-1,3-diene;1,3,5-trimethylbenzene has a molecular weight of 256.43 g/mol, XLogP of 5.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,5-tetramethylcyclohexa-1,3-diene;1,3,5-trimethylbenzene is sourced from PubChem (CID 157288182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).