2-chloro-4-ethyl-1-methylcyclohexa-1,3-diene

C9H13Cl — CID 19106582

IUPAC2-chloro-4-ethyl-1-methylcyclohexa-1,3-diene
SMILESCCC1=CC(Cl)=C(C)CC1
InChIInChI=1S/C9H13Cl/c1-3-8-5-4-7(2)9(10)6-8/h6H,3-5H2,1-2H3
InChIKeyHADAVHNKAZTKII-UHFFFAOYSA-N
MW156.66 g/mol
LogP3.63
Rot. Bonds1

About 2-chloro-4-ethyl-1-methylcyclohexa-1,3-diene

2-chloro-4-ethyl-1-methylcyclohexa-1,3-diene (PubChem CID 19106582) has the molecular formula C9H13Cl and a molecular weight of 156.66 g/mol. Its IUPAC name is 2-chloro-4-ethyl-1-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-chloro-4-ethyl-1-methylcyclohexa-1,3-diene
PubChem CID19106582
Molecular FormulaC9H13Cl
Molecular Weight156.66 g/mol
Exact Mass156.07
IUPAC Name2-chloro-4-ethyl-1-methylcyclohexa-1,3-diene
SMILESCCC1=CC(Cl)=C(C)CC1
InChIInChI=1S/C9H13Cl/c1-3-8-5-4-7(2)9(10)6-8/h6H,3-5H2,1-2H3
InChIKeyHADAVHNKAZTKII-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.66
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-chloro-4-ethyl-1-methylcyclohexa-1,3-diene 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

p-Mentha-1,3,8-triene
CID 176983
Sylveterpinolene
CID 524200
1,3-Cyclohexadiene, 1,4-dimethyl-
CID 141267
1-Methyl-6-methylenecyclohexene
CID 13048025
1-Methyl-3-methylenecyclohexene
CID 13542416
1-Methyl-4-propylcyclohexa-1,3-diene
CID 14815299
Dimethylvinylcyclohexene
CID 19872241
Butenylcyclohexene
CID 21464617
1-(1-Chlorovinyl)cyclohexene
CID 129802961
(3Z)-3-chlorodeca-1,3-diene
CID 10329774
2-Chloroprop-2-enylidenecyclohexane
CID 10964768
1-Penta-2,3-dien-2-ylcyclohexene
CID 11994846

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethyl-1-methylcyclohexa-1,3-diene?
The IUPAC name of 2-chloro-4-ethyl-1-methylcyclohexa-1,3-diene (CID 19106582) is 2-chloro-4-ethyl-1-methylcyclohexa-1,3-diene.
What is the SMILES notation for 2-chloro-4-ethyl-1-methylcyclohexa-1,3-diene?
The canonical SMILES for 2-chloro-4-ethyl-1-methylcyclohexa-1,3-diene is CCC1=CC(Cl)=C(C)CC1.
What is the InChIKey of 2-chloro-4-ethyl-1-methylcyclohexa-1,3-diene?
The InChIKey is HADAVHNKAZTKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl/c1-3-8-5-4-7(2)9(10)6-8/h6H,3-5H2,1-2H3.
What are the key properties of 2-chloro-4-ethyl-1-methylcyclohexa-1,3-diene?
2-chloro-4-ethyl-1-methylcyclohexa-1,3-diene has a molecular weight of 156.66 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-1-methylcyclohexa-1,3-diene is sourced from PubChem (CID 19106582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).