3,7,7-trimethylcyclohepta-1,3,5-triene

C10H14 — CID 576718

IUPAC3,7,7-trimethylcyclohepta-1,3,5-triene
SMILESCC1=CC=CC(C)(C)C=C1
InChIInChI=1S/C10H14/c1-9-5-4-7-10(2,3)8-6-9/h4-8H,1-3H3
InChIKeyVOURXYUVXXLJMD-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.08
Rot. Bonds

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

3,7,7-trimethylcyclohepta-1,3,5-triene (PubChem CID 576718) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 3,7,7-trimethylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name3,7,7-trimethylcyclohepta-1,3,5-triene
PubChem CID576718
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name3,7,7-trimethylcyclohepta-1,3,5-triene
SMILESCC1=CC=CC(C)(C)C=C1
InChIInChI=1S/C10H14/c1-9-5-4-7-10(2,3)8-6-9/h4-8H,1-3H3
InChIKeyVOURXYUVXXLJMD-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,7,7-trimethylcyclohepta-1,3,5-triene?
The IUPAC name of 3,7,7-trimethylcyclohepta-1,3,5-triene (CID 576718) is 3,7,7-trimethylcyclohepta-1,3,5-triene.
What is the SMILES notation for 3,7,7-trimethylcyclohepta-1,3,5-triene?
The canonical SMILES for 3,7,7-trimethylcyclohepta-1,3,5-triene is CC1=CC=CC(C)(C)C=C1.
What is the InChIKey of 3,7,7-trimethylcyclohepta-1,3,5-triene?
The InChIKey is VOURXYUVXXLJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-9-5-4-7-10(2,3)8-6-9/h4-8H,1-3H3.
What are the key properties of 3,7,7-trimethylcyclohepta-1,3,5-triene?
3,7,7-trimethylcyclohepta-1,3,5-triene has a molecular weight of 134.22 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,7-trimethylcyclohepta-1,3,5-triene is sourced from PubChem (CID 576718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).