5-ethyl-5-methyl-2-(2-methylpropyl)cyclohexa-1,3-diene

C13H22 — CID 173459403

IUPAC5-ethyl-5-methyl-2-(2-methylpropyl)cyclohexa-1,3-diene
SMILESCCC1(C)C=CC(CC(C)C)=CC1
InChIInChI=1S/C13H22/c1-5-13(4)8-6-12(7-9-13)10-11(2)3/h6-8,11H,5,9-10H2,1-4H3
InChIKeyFLTUQNIEFYZOQR-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.34
Rot. Bonds3

About 5-ethyl-5-methyl-2-(2-methylpropyl)cyclohexa-1,3-diene

5-ethyl-5-methyl-2-(2-methylpropyl)cyclohexa-1,3-diene (PubChem CID 173459403) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 5-ethyl-5-methyl-2-(2-methylpropyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethyl-5-methyl-2-(2-methylpropyl)cyclohexa-1,3-diene
PubChem CID173459403
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name5-ethyl-5-methyl-2-(2-methylpropyl)cyclohexa-1,3-diene
SMILESCCC1(C)C=CC(CC(C)C)=CC1
InChIInChI=1S/C13H22/c1-5-13(4)8-6-12(7-9-13)10-11(2)3/h6-8,11H,5,9-10H2,1-4H3
InChIKeyFLTUQNIEFYZOQR-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-ethyl-5-methyl-2-(2-methylpropyl)cyclohexa-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

alpha-PHELLANDRENE
CID 7460
alpha-PHELLANDRENE, (-)-
CID 442482
(+)-alpha-Phellandrene
CID 443160
Axerophthene
CID 5287722
(6E)-6-((2E,4E,6E)-3,7-Dimethyl-2,4,6,8-nonatetraen-1-ylidene)-1,5,5-trimethylcyclohexene
CID 5287678
Isoterpinolene
CID 102443
1,3-Cyclohexadiene, 1,5,5,6-tetramethyl-
CID 10581
(-)-Zingiberene
CID 92776
1,3,5,5-Tetramethyl-1,3-cyclohexadiene
CID 78453
3,5,5-Trimethylcyclohexene
CID 79132
4-Tert-butylcyclohex-1-ene
CID 16688
Cyclohexene, 1,5,5-trimethyl-6-methylene-
CID 578237

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-2-(2-methylpropyl)cyclohexa-1,3-diene?
The IUPAC name of 5-ethyl-5-methyl-2-(2-methylpropyl)cyclohexa-1,3-diene (CID 173459403) is 5-ethyl-5-methyl-2-(2-methylpropyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-ethyl-5-methyl-2-(2-methylpropyl)cyclohexa-1,3-diene?
The canonical SMILES for 5-ethyl-5-methyl-2-(2-methylpropyl)cyclohexa-1,3-diene is CCC1(C)C=CC(CC(C)C)=CC1.
What is the InChIKey of 5-ethyl-5-methyl-2-(2-methylpropyl)cyclohexa-1,3-diene?
The InChIKey is FLTUQNIEFYZOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-5-13(4)8-6-12(7-9-13)10-11(2)3/h6-8,11H,5,9-10H2,1-4H3.
What are the key properties of 5-ethyl-5-methyl-2-(2-methylpropyl)cyclohexa-1,3-diene?
5-ethyl-5-methyl-2-(2-methylpropyl)cyclohexa-1,3-diene has a molecular weight of 178.32 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-2-(2-methylpropyl)cyclohexa-1,3-diene is sourced from PubChem (CID 173459403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).