(3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienamide

C16H27NO — CID 18598172

IUPAC(3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C\CC(N)=O
InChIInChI=1S/C16H27NO/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,17,18)/b14-9+,15-11-
InChIKeyXPFCPWAMPJHTJU-PVMFERMNSA-N
MW249.40 g/mol
LogP4.28
Rot. Bonds8

About (3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienamide

(3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienamide (PubChem CID 18598172) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienamide.

Molecular Properties

Compound Name(3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienamide
PubChem CID18598172
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C\CC(N)=O
InChIInChI=1S/C16H27NO/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,17,18)/b14-9+,15-11-
InChIKeyXPFCPWAMPJHTJU-PVMFERMNSA-N
XLogP4.28
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
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 (3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienamide?
The IUPAC name of (3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienamide (CID 18598172) is (3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienamide.
What is the SMILES notation for (3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienamide?
The canonical SMILES for (3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienamide is CC(C)=CCC/C(C)=C/CC/C(C)=C\CC(N)=O.
What is the InChIKey of (3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienamide?
The InChIKey is XPFCPWAMPJHTJU-PVMFERMNSA-N. The full InChI is InChI=1S/C16H27NO/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,17,18)/b14-9+,15-11-.
What are the key properties of (3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienamide?
(3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienamide has a molecular weight of 249.40 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienamide is sourced from PubChem (CID 18598172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).