1-ethyl-2-methylcyclohepta-1,3,5-triene

C10H14 — CID 143683160

IUPAC1-ethyl-2-methylcyclohepta-1,3,5-triene
SMILESCCC1=C(C)C=CC=CC1
InChIInChI=1S/C10H14/c1-3-10-8-6-4-5-7-9(10)2/h4-7H,3,8H2,1-2H3
InChIKeyYSXHBZKCQWAEGT-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.23
Rot. Bonds1

About 1-ethyl-2-methylcyclohepta-1,3,5-triene

1-ethyl-2-methylcyclohepta-1,3,5-triene (PubChem CID 143683160) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1-ethyl-2-methylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name1-ethyl-2-methylcyclohepta-1,3,5-triene
PubChem CID143683160
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1-ethyl-2-methylcyclohepta-1,3,5-triene
SMILESCCC1=C(C)C=CC=CC1
InChIInChI=1S/C10H14/c1-3-10-8-6-4-5-7-9(10)2/h4-7H,3,8H2,1-2H3
InChIKeyYSXHBZKCQWAEGT-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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-ethyl-2-methylcyclohepta-1,3,5-triene?
The IUPAC name of 1-ethyl-2-methylcyclohepta-1,3,5-triene (CID 143683160) is 1-ethyl-2-methylcyclohepta-1,3,5-triene.
What is the SMILES notation for 1-ethyl-2-methylcyclohepta-1,3,5-triene?
The canonical SMILES for 1-ethyl-2-methylcyclohepta-1,3,5-triene is CCC1=C(C)C=CC=CC1.
What is the InChIKey of 1-ethyl-2-methylcyclohepta-1,3,5-triene?
The InChIKey is YSXHBZKCQWAEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-3-10-8-6-4-5-7-9(10)2/h4-7H,3,8H2,1-2H3.
What are the key properties of 1-ethyl-2-methylcyclohepta-1,3,5-triene?
1-ethyl-2-methylcyclohepta-1,3,5-triene has a molecular weight of 134.22 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylcyclohepta-1,3,5-triene is sourced from PubChem (CID 143683160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).