1-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene

C14H24 — CID 173428887

IUPAC1-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene
SMILESCC(C)(C)CC(C)(C)C1=CC=CCC1
InChIInChI=1S/C14H24/c1-13(2,3)11-14(4,5)12-9-7-6-8-10-12/h6-7,9H,8,10-11H2,1-5H3
InChIKeyQLHOLHIULMBGCC-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.73
Rot. Bonds2

About 1-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene

1-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene (PubChem CID 173428887) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 1-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene
PubChem CID173428887
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name1-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene
SMILESCC(C)(C)CC(C)(C)C1=CC=CCC1
InChIInChI=1S/C14H24/c1-13(2,3)11-14(4,5)12-9-7-6-8-10-12/h6-7,9H,8,10-11H2,1-5H3
InChIKeyQLHOLHIULMBGCC-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(2,4,4-trimethylpentan-2-yl)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

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene?
The IUPAC name of 1-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene (CID 173428887) is 1-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene.
What is the SMILES notation for 1-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene?
The canonical SMILES for 1-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene is CC(C)(C)CC(C)(C)C1=CC=CCC1.
What is the InChIKey of 1-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene?
The InChIKey is QLHOLHIULMBGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-13(2,3)11-14(4,5)12-9-7-6-8-10-12/h6-7,9H,8,10-11H2,1-5H3.
What are the key properties of 1-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene?
1-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene has a molecular weight of 192.35 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 173428887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).