1,2,3,4,5,6,7,7-octamethylcyclohepta-1,3,5-triene

C15H24 — CID 160680879

IUPAC1,2,3,4,5,6,7,7-octamethylcyclohepta-1,3,5-triene
SMILESCC1=C(C)C(C)=C(C)C(C)(C)C(C)=C1C
InChIInChI=1S/C15H24/c1-9-10(2)12(4)14(6)15(7,8)13(5)11(9)3/h1-8H3
InChIKeyJRXACBZFSGIUKD-UHFFFAOYSA-N
MW204.36 g/mol
LogP5.04
Rot. Bonds

About 1,2,3,4,5,6,7,7-octamethylcyclohepta-1,3,5-triene

1,2,3,4,5,6,7,7-octamethylcyclohepta-1,3,5-triene (PubChem CID 160680879) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,7-octamethylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name1,2,3,4,5,6,7,7-octamethylcyclohepta-1,3,5-triene
PubChem CID160680879
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1,2,3,4,5,6,7,7-octamethylcyclohepta-1,3,5-triene
SMILESCC1=C(C)C(C)=C(C)C(C)(C)C(C)=C1C
InChIInChI=1S/C15H24/c1-9-10(2)12(4)14(6)15(7,8)13(5)11(9)3/h1-8H3
InChIKeyJRXACBZFSGIUKD-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,7-octamethylcyclohepta-1,3,5-triene?
The IUPAC name of 1,2,3,4,5,6,7,7-octamethylcyclohepta-1,3,5-triene (CID 160680879) is 1,2,3,4,5,6,7,7-octamethylcyclohepta-1,3,5-triene.
What is the SMILES notation for 1,2,3,4,5,6,7,7-octamethylcyclohepta-1,3,5-triene?
The canonical SMILES for 1,2,3,4,5,6,7,7-octamethylcyclohepta-1,3,5-triene is CC1=C(C)C(C)=C(C)C(C)(C)C(C)=C1C.
What is the InChIKey of 1,2,3,4,5,6,7,7-octamethylcyclohepta-1,3,5-triene?
The InChIKey is JRXACBZFSGIUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-9-10(2)12(4)14(6)15(7,8)13(5)11(9)3/h1-8H3.
What are the key properties of 1,2,3,4,5,6,7,7-octamethylcyclohepta-1,3,5-triene?
1,2,3,4,5,6,7,7-octamethylcyclohepta-1,3,5-triene has a molecular weight of 204.36 g/mol, XLogP of 5.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,7-octamethylcyclohepta-1,3,5-triene is sourced from PubChem (CID 160680879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).