[(2Z,4E)-4-tert-butylhexa-2,4-dienyl]urea

C11H20N2O — CID 171540295

IUPAC[(2Z,4E)-4-tert-butylhexa-2,4-dienyl]urea
SMILESC/C=C(\C=C/CNC(N)=O)C(C)(C)C
InChIInChI=1S/C11H20N2O/c1-5-9(11(2,3)4)7-6-8-13-10(12)14/h5-7H,8H2,1-4H3,(H3,12,13,14)/b7-6-,9-5+
InChIKeyWJYAFDFZXPNZMM-QRLJIZSYSA-N
MW196.29 g/mol
LogP2.20
Rot. Bonds3

About [(2Z,4E)-4-tert-butylhexa-2,4-dienyl]urea

[(2Z,4E)-4-tert-butylhexa-2,4-dienyl]urea (PubChem CID 171540295) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is [(2Z,4E)-4-tert-butylhexa-2,4-dienyl]urea.

Molecular Properties

Compound Name[(2Z,4E)-4-tert-butylhexa-2,4-dienyl]urea
PubChem CID171540295
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name[(2Z,4E)-4-tert-butylhexa-2,4-dienyl]urea
SMILESC/C=C(\C=C/CNC(N)=O)C(C)(C)C
InChIInChI=1S/C11H20N2O/c1-5-9(11(2,3)4)7-6-8-13-10(12)14/h5-7H,8H2,1-4H3,(H3,12,13,14)/b7-6-,9-5+
InChIKeyWJYAFDFZXPNZMM-QRLJIZSYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(2Z,4E)-4-tert-butylhexa-2,4-dienyl]urea 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 [(2Z,4E)-4-tert-butylhexa-2,4-dienyl]urea?
The IUPAC name of [(2Z,4E)-4-tert-butylhexa-2,4-dienyl]urea (CID 171540295) is [(2Z,4E)-4-tert-butylhexa-2,4-dienyl]urea.
What is the SMILES notation for [(2Z,4E)-4-tert-butylhexa-2,4-dienyl]urea?
The canonical SMILES for [(2Z,4E)-4-tert-butylhexa-2,4-dienyl]urea is C/C=C(\C=C/CNC(N)=O)C(C)(C)C.
What is the InChIKey of [(2Z,4E)-4-tert-butylhexa-2,4-dienyl]urea?
The InChIKey is WJYAFDFZXPNZMM-QRLJIZSYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-9(11(2,3)4)7-6-8-13-10(12)14/h5-7H,8H2,1-4H3,(H3,12,13,14)/b7-6-,9-5+.
What are the key properties of [(2Z,4E)-4-tert-butylhexa-2,4-dienyl]urea?
[(2Z,4E)-4-tert-butylhexa-2,4-dienyl]urea has a molecular weight of 196.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4E)-4-tert-butylhexa-2,4-dienyl]urea is sourced from PubChem (CID 171540295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).