(2E,4E,8E)-5,9,13-trimethyltetradeca-2,4,8,12-tetraenamide

C17H27NO — CID 46230682

IUPAC(2E,4E,8E)-5,9,13-trimethyltetradeca-2,4,8,12-tetraenamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C(N)=O
InChIInChI=1S/C17H27NO/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-17(18)19/h7-8,10,12-13H,5-6,9,11H2,1-4H3,(H2,18,19)/b13-7+,15-10+,16-12+
InChIKeyHEWHJSZFNDQPQW-YKXWRRLFSA-N
MW261.41 g/mol
LogP4.45
Rot. Bonds8

About (2E,4E,8E)-5,9,13-trimethyltetradeca-2,4,8,12-tetraenamide

(2E,4E,8E)-5,9,13-trimethyltetradeca-2,4,8,12-tetraenamide (PubChem CID 46230682) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (2E,4E,8E)-5,9,13-trimethyltetradeca-2,4,8,12-tetraenamide.

Molecular Properties

Compound Name(2E,4E,8E)-5,9,13-trimethyltetradeca-2,4,8,12-tetraenamide
PubChem CID46230682
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(2E,4E,8E)-5,9,13-trimethyltetradeca-2,4,8,12-tetraenamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C(N)=O
InChIInChI=1S/C17H27NO/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-17(18)19/h7-8,10,12-13H,5-6,9,11H2,1-4H3,(H2,18,19)/b13-7+,15-10+,16-12+
InChIKeyHEWHJSZFNDQPQW-YKXWRRLFSA-N
XLogP4.45
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,8E)-5,9,13-trimethyltetradeca-2,4,8,12-tetraenamide?
The IUPAC name of (2E,4E,8E)-5,9,13-trimethyltetradeca-2,4,8,12-tetraenamide (CID 46230682) is (2E,4E,8E)-5,9,13-trimethyltetradeca-2,4,8,12-tetraenamide.
What is the SMILES notation for (2E,4E,8E)-5,9,13-trimethyltetradeca-2,4,8,12-tetraenamide?
The canonical SMILES for (2E,4E,8E)-5,9,13-trimethyltetradeca-2,4,8,12-tetraenamide is CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C(N)=O.
What is the InChIKey of (2E,4E,8E)-5,9,13-trimethyltetradeca-2,4,8,12-tetraenamide?
The InChIKey is HEWHJSZFNDQPQW-YKXWRRLFSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-17(18)19/h7-8,10,12-13H,5-6,9,11H2,1-4H3,(H2,18,19)/b13-7+,15-10+,16-12+.
What are the key properties of (2E,4E,8E)-5,9,13-trimethyltetradeca-2,4,8,12-tetraenamide?
(2E,4E,8E)-5,9,13-trimethyltetradeca-2,4,8,12-tetraenamide has a molecular weight of 261.41 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,8E)-5,9,13-trimethyltetradeca-2,4,8,12-tetraenamide is sourced from PubChem (CID 46230682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).