(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienamide

C15H25NO — CID 5275515

IUPAC(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C(N)=O
InChIInChI=1S/C15H25NO/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h7,9,11H,5-6,8,10H2,1-4H3,(H2,16,17)/b13-9+,14-11+
InChIKeyPIHKEQFAZPGFSS-IJFRVEDASA-N
MW235.37 g/mol
LogP3.89
Rot. Bonds7

About (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienamide

(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienamide (PubChem CID 5275515) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienamide.

Molecular Properties

Compound Name(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienamide
PubChem CID5275515
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C(N)=O
InChIInChI=1S/C15H25NO/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h7,9,11H,5-6,8,10H2,1-4H3,(H2,16,17)/b13-9+,14-11+
InChIKeyPIHKEQFAZPGFSS-IJFRVEDASA-N
XLogP3.89
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.89
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'}

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienamide?
The IUPAC name of (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienamide (CID 5275515) is (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienamide.
What is the SMILES notation for (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienamide?
The canonical SMILES for (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienamide is CC(C)=CCC/C(C)=C/CC/C(C)=C/C(N)=O.
What is the InChIKey of (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienamide?
The InChIKey is PIHKEQFAZPGFSS-IJFRVEDASA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h7,9,11H,5-6,8,10H2,1-4H3,(H2,16,17)/b13-9+,14-11+.
What are the key properties of (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienamide?
(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienamide has a molecular weight of 235.37 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienamide is sourced from PubChem (CID 5275515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).