(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide

C18H29NO2 — CID 15069719

IUPAC(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide
SMILESCC(=O)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)C(N)=O
InChIInChI=1S/C18H29NO2/c1-14(10-6-12-16(3)18(19)21)8-5-9-15(2)11-7-13-17(4)20/h8,11-12H,5-7,9-10,13H2,1-4H3,(H2,19,21)/b14-8+,15-11+,16-12+
InChIKeyIOEQHXGYKZNIAA-SZSUAEHPSA-N
MW291.44 g/mol
LogP4.24
Rot. Bonds10

About (2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide

(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide (PubChem CID 15069719) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is (2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide.

Molecular Properties

Compound Name(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide
PubChem CID15069719
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide
SMILESCC(=O)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)C(N)=O
InChIInChI=1S/C18H29NO2/c1-14(10-6-12-16(3)18(19)21)8-5-9-15(2)11-7-13-17(4)20/h8,11-12H,5-7,9-10,13H2,1-4H3,(H2,19,21)/b14-8+,15-11+,16-12+
InChIKeyIOEQHXGYKZNIAA-SZSUAEHPSA-N
XLogP4.24
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide?
The IUPAC name of (2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide (CID 15069719) is (2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide.
What is the SMILES notation for (2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide?
The canonical SMILES for (2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide is CC(=O)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)C(N)=O.
What is the InChIKey of (2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide?
The InChIKey is IOEQHXGYKZNIAA-SZSUAEHPSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14(10-6-12-16(3)18(19)21)8-5-9-15(2)11-7-13-17(4)20/h8,11-12H,5-7,9-10,13H2,1-4H3,(H2,19,21)/b14-8+,15-11+,16-12+.
What are the key properties of (2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide?
(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide has a molecular weight of 291.44 g/mol, XLogP of 4.24, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide is sourced from PubChem (CID 15069719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).