(3E,7E)-N,N,4,8,12-pentamethyltrideca-3,7,11-trienamide

C18H31NO — CID 15762052

IUPAC(3E,7E)-N,N,4,8,12-pentamethyltrideca-3,7,11-trienamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC(=O)N(C)C
InChIInChI=1S/C18H31NO/c1-15(2)9-7-10-16(3)11-8-12-17(4)13-14-18(20)19(5)6/h9,11,13H,7-8,10,12,14H2,1-6H3/b16-11+,17-13+
InChIKeyQICWMQCRRXIXJV-IUBLYSDUSA-N
MW277.45 g/mol
LogP4.88
Rot. Bonds8

About (3E,7E)-N,N,4,8,12-pentamethyltrideca-3,7,11-trienamide

(3E,7E)-N,N,4,8,12-pentamethyltrideca-3,7,11-trienamide (PubChem CID 15762052) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is (3E,7E)-N,N,4,8,12-pentamethyltrideca-3,7,11-trienamide.

Molecular Properties

Compound Name(3E,7E)-N,N,4,8,12-pentamethyltrideca-3,7,11-trienamide
PubChem CID15762052
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name(3E,7E)-N,N,4,8,12-pentamethyltrideca-3,7,11-trienamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC(=O)N(C)C
InChIInChI=1S/C18H31NO/c1-15(2)9-7-10-16(3)11-8-12-17(4)13-14-18(20)19(5)6/h9,11,13H,7-8,10,12,14H2,1-6H3/b16-11+,17-13+
InChIKeyQICWMQCRRXIXJV-IUBLYSDUSA-N
XLogP4.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,7E)-N,N,4,8,12-pentamethyltrideca-3,7,11-trienamide?
The IUPAC name of (3E,7E)-N,N,4,8,12-pentamethyltrideca-3,7,11-trienamide (CID 15762052) is (3E,7E)-N,N,4,8,12-pentamethyltrideca-3,7,11-trienamide.
What is the SMILES notation for (3E,7E)-N,N,4,8,12-pentamethyltrideca-3,7,11-trienamide?
The canonical SMILES for (3E,7E)-N,N,4,8,12-pentamethyltrideca-3,7,11-trienamide is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC(=O)N(C)C.
What is the InChIKey of (3E,7E)-N,N,4,8,12-pentamethyltrideca-3,7,11-trienamide?
The InChIKey is QICWMQCRRXIXJV-IUBLYSDUSA-N. The full InChI is InChI=1S/C18H31NO/c1-15(2)9-7-10-16(3)11-8-12-17(4)13-14-18(20)19(5)6/h9,11,13H,7-8,10,12,14H2,1-6H3/b16-11+,17-13+.
What are the key properties of (3E,7E)-N,N,4,8,12-pentamethyltrideca-3,7,11-trienamide?
(3E,7E)-N,N,4,8,12-pentamethyltrideca-3,7,11-trienamide has a molecular weight of 277.45 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7E)-N,N,4,8,12-pentamethyltrideca-3,7,11-trienamide is sourced from PubChem (CID 15762052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).