1,2,3-trimethylcyclohepta-1,3,5-triene

C10H14 — CID 12518377

IUPAC1,2,3-trimethylcyclohepta-1,3,5-triene
SMILESCC1=CC=CCC(C)=C1C
InChIInChI=1S/C10H14/c1-8-6-4-5-7-9(2)10(8)3/h4-6H,7H2,1-3H3
InChIKeyFDZPEVFAWSFGNQ-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.23
Rot. Bonds

About 1,2,3-trimethylcyclohepta-1,3,5-triene

1,2,3-trimethylcyclohepta-1,3,5-triene (PubChem CID 12518377) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1,2,3-trimethylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name1,2,3-trimethylcyclohepta-1,3,5-triene
PubChem CID12518377
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1,2,3-trimethylcyclohepta-1,3,5-triene
SMILESCC1=CC=CCC(C)=C1C
InChIInChI=1S/C10H14/c1-8-6-4-5-7-9(2)10(8)3/h4-6H,7H2,1-3H3
InChIKeyFDZPEVFAWSFGNQ-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethylcyclohepta-1,3,5-triene?
The IUPAC name of 1,2,3-trimethylcyclohepta-1,3,5-triene (CID 12518377) is 1,2,3-trimethylcyclohepta-1,3,5-triene.
What is the SMILES notation for 1,2,3-trimethylcyclohepta-1,3,5-triene?
The canonical SMILES for 1,2,3-trimethylcyclohepta-1,3,5-triene is CC1=CC=CCC(C)=C1C.
What is the InChIKey of 1,2,3-trimethylcyclohepta-1,3,5-triene?
The InChIKey is FDZPEVFAWSFGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-8-6-4-5-7-9(2)10(8)3/h4-6H,7H2,1-3H3.
What are the key properties of 1,2,3-trimethylcyclohepta-1,3,5-triene?
1,2,3-trimethylcyclohepta-1,3,5-triene has a molecular weight of 134.22 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethylcyclohepta-1,3,5-triene is sourced from PubChem (CID 12518377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).