(2E,4E,8E,10E)-2-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide

C16H25NO — CID 87746919

IUPAC(2E,4E,8E,10E)-2-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide
SMILESC/C=C/C=C/CC/C=C/C=C(\CC(C)C)C(N)=O
InChIInChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-15(16(17)18)13-14(2)3/h4-7,10-12,14H,8-9,13H2,1-3H3,(H2,17,18)/b5-4+,7-6+,11-10+,15-12+
InChIKeyQXNKXYZXRAIYEV-PGEJHWCVSA-N
MW247.38 g/mol
LogP3.91
Rot. Bonds8

About (2E,4E,8E,10E)-2-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide

(2E,4E,8E,10E)-2-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide (PubChem CID 87746919) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (2E,4E,8E,10E)-2-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide.

Molecular Properties

Compound Name(2E,4E,8E,10E)-2-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide
PubChem CID87746919
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(2E,4E,8E,10E)-2-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide
SMILESC/C=C/C=C/CC/C=C/C=C(\CC(C)C)C(N)=O
InChIInChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-15(16(17)18)13-14(2)3/h4-7,10-12,14H,8-9,13H2,1-3H3,(H2,17,18)/b5-4+,7-6+,11-10+,15-12+
InChIKeyQXNKXYZXRAIYEV-PGEJHWCVSA-N
XLogP3.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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,10E)-2-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide?
The IUPAC name of (2E,4E,8E,10E)-2-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide (CID 87746919) is (2E,4E,8E,10E)-2-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide.
What is the SMILES notation for (2E,4E,8E,10E)-2-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide?
The canonical SMILES for (2E,4E,8E,10E)-2-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide is C/C=C/C=C/CC/C=C/C=C(\CC(C)C)C(N)=O.
What is the InChIKey of (2E,4E,8E,10E)-2-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide?
The InChIKey is QXNKXYZXRAIYEV-PGEJHWCVSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-15(16(17)18)13-14(2)3/h4-7,10-12,14H,8-9,13H2,1-3H3,(H2,17,18)/b5-4+,7-6+,11-10+,15-12+.
What are the key properties of (2E,4E,8E,10E)-2-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide?
(2E,4E,8E,10E)-2-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide has a molecular weight of 247.38 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,8E,10E)-2-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide is sourced from PubChem (CID 87746919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).