(E)-6,9-dimethyl-8-methylimino-5-propyldec-6-en-3-one

C16H29NO — CID 176969183

IUPAC(E)-6,9-dimethyl-8-methylimino-5-propyldec-6-en-3-one
SMILESCCCC(CC(=O)CC)/C(C)=C/C(=N/C)C(C)C
InChIInChI=1S/C16H29NO/c1-7-9-14(11-15(18)8-2)13(5)10-16(17-6)12(3)4/h10,12,14H,7-9,11H2,1-6H3/b13-10+,17-16-
InChIKeyZNUDBCKLIRGXQA-WYCZAELTSA-N
MW251.41 g/mol
LogP4.45
Rot. Bonds8

About (E)-6,9-dimethyl-8-methylimino-5-propyldec-6-en-3-one

(E)-6,9-dimethyl-8-methylimino-5-propyldec-6-en-3-one (PubChem CID 176969183) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is (E)-6,9-dimethyl-8-methylimino-5-propyldec-6-en-3-one.

Molecular Properties

Compound Name(E)-6,9-dimethyl-8-methylimino-5-propyldec-6-en-3-one
PubChem CID176969183
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name(E)-6,9-dimethyl-8-methylimino-5-propyldec-6-en-3-one
SMILESCCCC(CC(=O)CC)/C(C)=C/C(=N/C)C(C)C
InChIInChI=1S/C16H29NO/c1-7-9-14(11-15(18)8-2)13(5)10-16(17-6)12(3)4/h10,12,14H,7-9,11H2,1-6H3/b13-10+,17-16-
InChIKeyZNUDBCKLIRGXQA-WYCZAELTSA-N
XLogP4.45
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-6,9-dimethyl-8-methylimino-5-propyldec-6-en-3-one?
The IUPAC name of (E)-6,9-dimethyl-8-methylimino-5-propyldec-6-en-3-one (CID 176969183) is (E)-6,9-dimethyl-8-methylimino-5-propyldec-6-en-3-one.
What is the SMILES notation for (E)-6,9-dimethyl-8-methylimino-5-propyldec-6-en-3-one?
The canonical SMILES for (E)-6,9-dimethyl-8-methylimino-5-propyldec-6-en-3-one is CCCC(CC(=O)CC)/C(C)=C/C(=N/C)C(C)C.
What is the InChIKey of (E)-6,9-dimethyl-8-methylimino-5-propyldec-6-en-3-one?
The InChIKey is ZNUDBCKLIRGXQA-WYCZAELTSA-N. The full InChI is InChI=1S/C16H29NO/c1-7-9-14(11-15(18)8-2)13(5)10-16(17-6)12(3)4/h10,12,14H,7-9,11H2,1-6H3/b13-10+,17-16-.
What are the key properties of (E)-6,9-dimethyl-8-methylimino-5-propyldec-6-en-3-one?
(E)-6,9-dimethyl-8-methylimino-5-propyldec-6-en-3-one has a molecular weight of 251.41 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,9-dimethyl-8-methylimino-5-propyldec-6-en-3-one is sourced from PubChem (CID 176969183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).