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

C17H29NO — CID 5275517

IUPAC(2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trienamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)N(C)C
InChIInChI=1S/C17H29NO/c1-14(2)9-7-10-15(3)11-8-12-16(4)13-17(19)18(5)6/h9,11,13H,7-8,10,12H2,1-6H3/b15-11+,16-13+
InChIKeyOXLKXVXFHQSCFD-NWFDBUFXSA-N
MW263.43 g/mol
LogP4.49
Rot. Bonds7

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

(2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trienamide (PubChem CID 5275517) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is (2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trienamide.

Molecular Properties

Compound Name(2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trienamide
PubChem CID5275517
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name(2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trienamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)N(C)C
InChIInChI=1S/C17H29NO/c1-14(2)9-7-10-15(3)11-8-12-16(4)13-17(19)18(5)6/h9,11,13H,7-8,10,12H2,1-6H3/b15-11+,16-13+
InChIKeyOXLKXVXFHQSCFD-NWFDBUFXSA-N
XLogP4.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.49
H-Bond Donors ≤ 50
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)-N,N,3,7,11-pentamethyldodeca-2,6,10-trienamide?
The IUPAC name of (2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trienamide (CID 5275517) is (2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trienamide.
What is the SMILES notation for (2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trienamide?
The canonical SMILES for (2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trienamide is CC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)N(C)C.
What is the InChIKey of (2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trienamide?
The InChIKey is OXLKXVXFHQSCFD-NWFDBUFXSA-N. The full InChI is InChI=1S/C17H29NO/c1-14(2)9-7-10-15(3)11-8-12-16(4)13-17(19)18(5)6/h9,11,13H,7-8,10,12H2,1-6H3/b15-11+,16-13+.
What are the key properties of (2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trienamide?
(2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trienamide has a molecular weight of 263.43 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trienamide is sourced from PubChem (CID 5275517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).