6-ethyl-1-methylcyclohexa-1,2,4-triene

C9H12 — CID 123809086

IUPAC6-ethyl-1-methylcyclohexa-1,2,4-triene
SMILESCCC1C=CC=C=C1C
InChIInChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-5,7,9H,3H2,1-2H3
InChIKeyGIKLXBZQAHDJHF-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.68
Rot. Bonds1

About 6-ethyl-1-methylcyclohexa-1,2,4-triene

6-ethyl-1-methylcyclohexa-1,2,4-triene (PubChem CID 123809086) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is 6-ethyl-1-methylcyclohexa-1,2,4-triene.

Molecular Properties

Compound Name6-ethyl-1-methylcyclohexa-1,2,4-triene
PubChem CID123809086
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name6-ethyl-1-methylcyclohexa-1,2,4-triene
SMILESCCC1C=CC=C=C1C
InChIInChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-5,7,9H,3H2,1-2H3
InChIKeyGIKLXBZQAHDJHF-UHFFFAOYSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-ethyl-1-methylcyclohexa-1,2,4-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-1-methylcyclopenta-1,3-diene;zirconium
CID 174480291
1-chloro-7-ethylcyclohepta-1,3,5-triene
CID 71395695
5-ethyl-1-propan-2-ylcyclopenta-1,3-diene
CID 169222891
3-ethyl-7-methyl-1,3-dihydroazepin-2-one
CID 130010195
5-ethyl-1-prop-1-en-2-ylcyclopenta-1,3-diene
CID 142452108
2-but-2-en-2-yl-7-ethyl-1-methylcyclohepta-1,3,5-triene
CID 91368819
(5-ethylcyclopenta-1,3-dien-1-yl)oxy-trimethylsilane
CID 158889903
(3R)-3,7-diethyl-1,3-dihydroazepin-2-one
CID 94034657
methyl 5-ethylcyclopenta-1,3-diene-1-carboxylate
CID 176533311
3-ethyl-6-methyl-3H-pyridin-2-one
CID 76844676
4,8-diethyl-4,8-dihydronaphthalene-1,5-dione
CID 174772232
CID 101252613
CID 101252613

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-methylcyclohexa-1,2,4-triene?
The IUPAC name of 6-ethyl-1-methylcyclohexa-1,2,4-triene (CID 123809086) is 6-ethyl-1-methylcyclohexa-1,2,4-triene.
What is the SMILES notation for 6-ethyl-1-methylcyclohexa-1,2,4-triene?
The canonical SMILES for 6-ethyl-1-methylcyclohexa-1,2,4-triene is CCC1C=CC=C=C1C.
What is the InChIKey of 6-ethyl-1-methylcyclohexa-1,2,4-triene?
The InChIKey is GIKLXBZQAHDJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-5,7,9H,3H2,1-2H3.
What are the key properties of 6-ethyl-1-methylcyclohexa-1,2,4-triene?
6-ethyl-1-methylcyclohexa-1,2,4-triene has a molecular weight of 120.19 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-methylcyclohexa-1,2,4-triene is sourced from PubChem (CID 123809086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).