1,3,5,7,7-pentamethylcyclohepta-1,3,5-triene

C12H18 — CID 123470859

IUPAC1,3,5,7,7-pentamethylcyclohepta-1,3,5-triene
SMILESCC1=CC(C)=CC(C)(C)C(C)=C1
InChIInChI=1S/C12H18/c1-9-6-10(2)8-12(4,5)11(3)7-9/h6-8H,1-5H3
InChIKeyKEPVUHBFIWZKEC-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.87
Rot. Bonds

About 1,3,5,7,7-pentamethylcyclohepta-1,3,5-triene

1,3,5,7,7-pentamethylcyclohepta-1,3,5-triene (PubChem CID 123470859) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1,3,5,7,7-pentamethylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name1,3,5,7,7-pentamethylcyclohepta-1,3,5-triene
PubChem CID123470859
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name1,3,5,7,7-pentamethylcyclohepta-1,3,5-triene
SMILESCC1=CC(C)=CC(C)(C)C(C)=C1
InChIInChI=1S/C12H18/c1-9-6-10(2)8-12(4,5)11(3)7-9/h6-8H,1-5H3
InChIKeyKEPVUHBFIWZKEC-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,7,7-pentamethylcyclohepta-1,3,5-triene?
The IUPAC name of 1,3,5,7,7-pentamethylcyclohepta-1,3,5-triene (CID 123470859) is 1,3,5,7,7-pentamethylcyclohepta-1,3,5-triene.
What is the SMILES notation for 1,3,5,7,7-pentamethylcyclohepta-1,3,5-triene?
The canonical SMILES for 1,3,5,7,7-pentamethylcyclohepta-1,3,5-triene is CC1=CC(C)=CC(C)(C)C(C)=C1.
What is the InChIKey of 1,3,5,7,7-pentamethylcyclohepta-1,3,5-triene?
The InChIKey is KEPVUHBFIWZKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-9-6-10(2)8-12(4,5)11(3)7-9/h6-8H,1-5H3.
What are the key properties of 1,3,5,7,7-pentamethylcyclohepta-1,3,5-triene?
1,3,5,7,7-pentamethylcyclohepta-1,3,5-triene has a molecular weight of 162.28 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7,7-pentamethylcyclohepta-1,3,5-triene is sourced from PubChem (CID 123470859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).