(2E,6E)-9-tert-butyltrideca-2,6-diene

C17H32 — CID 176585534

IUPAC(2E,6E)-9-tert-butyltrideca-2,6-diene
SMILESC/C=C/CC/C=C/CC(CCCC)C(C)(C)C
InChIInChI=1S/C17H32/c1-6-8-10-11-12-13-15-16(14-9-7-2)17(3,4)5/h6,8,12-13,16H,7,9-11,14-15H2,1-5H3/b8-6+,13-12+
InChIKeyMOUXLVZXVNZIDB-JQAHBYNNSA-N
MW236.44 g/mol
LogP6.14
Rot. Bonds8

About (2E,6E)-9-tert-butyltrideca-2,6-diene

(2E,6E)-9-tert-butyltrideca-2,6-diene (PubChem CID 176585534) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is (2E,6E)-9-tert-butyltrideca-2,6-diene.

Molecular Properties

Compound Name(2E,6E)-9-tert-butyltrideca-2,6-diene
PubChem CID176585534
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name(2E,6E)-9-tert-butyltrideca-2,6-diene
SMILESC/C=C/CC/C=C/CC(CCCC)C(C)(C)C
InChIInChI=1S/C17H32/c1-6-8-10-11-12-13-15-16(14-9-7-2)17(3,4)5/h6,8,12-13,16H,7,9-11,14-15H2,1-5H3/b8-6+,13-12+
InChIKeyMOUXLVZXVNZIDB-JQAHBYNNSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2E,6E)-9-tert-butyltrideca-2,6-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 (2E,6E)-9-tert-butyltrideca-2,6-diene?
The IUPAC name of (2E,6E)-9-tert-butyltrideca-2,6-diene (CID 176585534) is (2E,6E)-9-tert-butyltrideca-2,6-diene.
What is the SMILES notation for (2E,6E)-9-tert-butyltrideca-2,6-diene?
The canonical SMILES for (2E,6E)-9-tert-butyltrideca-2,6-diene is C/C=C/CC/C=C/CC(CCCC)C(C)(C)C.
What is the InChIKey of (2E,6E)-9-tert-butyltrideca-2,6-diene?
The InChIKey is MOUXLVZXVNZIDB-JQAHBYNNSA-N. The full InChI is InChI=1S/C17H32/c1-6-8-10-11-12-13-15-16(14-9-7-2)17(3,4)5/h6,8,12-13,16H,7,9-11,14-15H2,1-5H3/b8-6+,13-12+.
What are the key properties of (2E,6E)-9-tert-butyltrideca-2,6-diene?
(2E,6E)-9-tert-butyltrideca-2,6-diene has a molecular weight of 236.44 g/mol, XLogP of 6.14, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-9-tert-butyltrideca-2,6-diene is sourced from PubChem (CID 176585534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).