1-ethyl-2,5-dimethyl-4-[(2,4,5-trimethylcyclohexa-1,4-dien-1-yl)methyl]cyclohexa-1,4-diene

C20H30 — CID 20685022

IUPAC1-ethyl-2,5-dimethyl-4-[(2,4,5-trimethylcyclohexa-1,4-dien-1-yl)methyl]cyclohexa-1,4-diene
SMILESCCC1=C(C)CC(CC2=C(C)CC(C)=C(C)C2)=C(C)C1
InChIInChI=1S/C20H30/c1-7-18-10-17(6)20(11-16(18)5)12-19-9-14(3)13(2)8-15(19)4/h7-12H2,1-6H3
InChIKeyOFKWPKCEMHKXSQ-UHFFFAOYSA-N
MW270.46 g/mol
LogP6.66
Rot. Bonds3

About 1-ethyl-2,5-dimethyl-4-[(2,4,5-trimethylcyclohexa-1,4-dien-1-yl)methyl]cyclohexa-1,4-diene

1-ethyl-2,5-dimethyl-4-[(2,4,5-trimethylcyclohexa-1,4-dien-1-yl)methyl]cyclohexa-1,4-diene (PubChem CID 20685022) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-ethyl-2,5-dimethyl-4-[(2,4,5-trimethylcyclohexa-1,4-dien-1-yl)methyl]cyclohexa-1,4-diene.

Molecular Properties

Compound Name1-ethyl-2,5-dimethyl-4-[(2,4,5-trimethylcyclohexa-1,4-dien-1-yl)methyl]cyclohexa-1,4-diene
PubChem CID20685022
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Name1-ethyl-2,5-dimethyl-4-[(2,4,5-trimethylcyclohexa-1,4-dien-1-yl)methyl]cyclohexa-1,4-diene
SMILESCCC1=C(C)CC(CC2=C(C)CC(C)=C(C)C2)=C(C)C1
InChIInChI=1S/C20H30/c1-7-18-10-17(6)20(11-16(18)5)12-19-9-14(3)13(2)8-15(19)4/h7-12H2,1-6H3
InChIKeyOFKWPKCEMHKXSQ-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-ethyl-2,5-dimethyl-4-[(2,4,5-trimethylcyclohexa-1,4-dien-1-yl)methyl]cyclohexa-1,4-diene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,5-dimethyl-4-[(2,4,5-trimethylcyclohexa-1,4-dien-1-yl)methyl]cyclohexa-1,4-diene?
The IUPAC name of 1-ethyl-2,5-dimethyl-4-[(2,4,5-trimethylcyclohexa-1,4-dien-1-yl)methyl]cyclohexa-1,4-diene (CID 20685022) is 1-ethyl-2,5-dimethyl-4-[(2,4,5-trimethylcyclohexa-1,4-dien-1-yl)methyl]cyclohexa-1,4-diene.
What is the SMILES notation for 1-ethyl-2,5-dimethyl-4-[(2,4,5-trimethylcyclohexa-1,4-dien-1-yl)methyl]cyclohexa-1,4-diene?
The canonical SMILES for 1-ethyl-2,5-dimethyl-4-[(2,4,5-trimethylcyclohexa-1,4-dien-1-yl)methyl]cyclohexa-1,4-diene is CCC1=C(C)CC(CC2=C(C)CC(C)=C(C)C2)=C(C)C1.
What is the InChIKey of 1-ethyl-2,5-dimethyl-4-[(2,4,5-trimethylcyclohexa-1,4-dien-1-yl)methyl]cyclohexa-1,4-diene?
The InChIKey is OFKWPKCEMHKXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30/c1-7-18-10-17(6)20(11-16(18)5)12-19-9-14(3)13(2)8-15(19)4/h7-12H2,1-6H3.
What are the key properties of 1-ethyl-2,5-dimethyl-4-[(2,4,5-trimethylcyclohexa-1,4-dien-1-yl)methyl]cyclohexa-1,4-diene?
1-ethyl-2,5-dimethyl-4-[(2,4,5-trimethylcyclohexa-1,4-dien-1-yl)methyl]cyclohexa-1,4-diene has a molecular weight of 270.46 g/mol, XLogP of 6.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,5-dimethyl-4-[(2,4,5-trimethylcyclohexa-1,4-dien-1-yl)methyl]cyclohexa-1,4-diene is sourced from PubChem (CID 20685022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).