9-ethyl-10-ethyliminoundecan-3-one

C15H29NO — CID 154951458

IUPAC9-ethyl-10-ethyliminoundecan-3-one
SMILESCC/N=C(\C)C(CC)CCCCCC(=O)CC
InChIInChI=1S/C15H29NO/c1-5-14(13(4)16-7-3)11-9-8-10-12-15(17)6-2/h14H,5-12H2,1-4H3/b16-13+
InChIKeyXNKSFOHVMHJSKX-DTQAZKPQSA-N
MW239.40 g/mol
LogP4.42
Rot. Bonds10

About 9-ethyl-10-ethyliminoundecan-3-one

9-ethyl-10-ethyliminoundecan-3-one (PubChem CID 154951458) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 9-ethyl-10-ethyliminoundecan-3-one.

Molecular Properties

Compound Name9-ethyl-10-ethyliminoundecan-3-one
PubChem CID154951458
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name9-ethyl-10-ethyliminoundecan-3-one
SMILESCC/N=C(\C)C(CC)CCCCCC(=O)CC
InChIInChI=1S/C15H29NO/c1-5-14(13(4)16-7-3)11-9-8-10-12-15(17)6-2/h14H,5-12H2,1-4H3/b16-13+
InChIKeyXNKSFOHVMHJSKX-DTQAZKPQSA-N
XLogP4.42
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-10-ethyliminoundecan-3-one?
The IUPAC name of 9-ethyl-10-ethyliminoundecan-3-one (CID 154951458) is 9-ethyl-10-ethyliminoundecan-3-one.
What is the SMILES notation for 9-ethyl-10-ethyliminoundecan-3-one?
The canonical SMILES for 9-ethyl-10-ethyliminoundecan-3-one is CC/N=C(\C)C(CC)CCCCCC(=O)CC.
What is the InChIKey of 9-ethyl-10-ethyliminoundecan-3-one?
The InChIKey is XNKSFOHVMHJSKX-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-14(13(4)16-7-3)11-9-8-10-12-15(17)6-2/h14H,5-12H2,1-4H3/b16-13+.
What are the key properties of 9-ethyl-10-ethyliminoundecan-3-one?
9-ethyl-10-ethyliminoundecan-3-one has a molecular weight of 239.40 g/mol, XLogP of 4.42, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-10-ethyliminoundecan-3-one is sourced from PubChem (CID 154951458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).