9-ethoxy-6,9-dimethylundec-3-en-2-one

C15H28O2 — CID 54253889

IUPAC9-ethoxy-6,9-dimethylundec-3-en-2-one
SMILESCCOC(C)(CC)CCC(C)CC=CC(C)=O
InChIInChI=1S/C15H28O2/c1-6-15(5,17-7-2)12-11-13(3)9-8-10-14(4)16/h8,10,13H,6-7,9,11-12H2,1-5H3
InChIKeyQYRAOVUSRWEGMX-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.14
Rot. Bonds9

About 9-ethoxy-6,9-dimethylundec-3-en-2-one

9-ethoxy-6,9-dimethylundec-3-en-2-one (PubChem CID 54253889) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 9-ethoxy-6,9-dimethylundec-3-en-2-one.

Molecular Properties

Compound Name9-ethoxy-6,9-dimethylundec-3-en-2-one
PubChem CID54253889
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name9-ethoxy-6,9-dimethylundec-3-en-2-one
SMILESCCOC(C)(CC)CCC(C)CC=CC(C)=O
InChIInChI=1S/C15H28O2/c1-6-15(5,17-7-2)12-11-13(3)9-8-10-14(4)16/h8,10,13H,6-7,9,11-12H2,1-5H3
InChIKeyQYRAOVUSRWEGMX-UHFFFAOYSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-ethoxy-6,9-dimethylundec-3-en-2-one?
The IUPAC name of 9-ethoxy-6,9-dimethylundec-3-en-2-one (CID 54253889) is 9-ethoxy-6,9-dimethylundec-3-en-2-one.
What is the SMILES notation for 9-ethoxy-6,9-dimethylundec-3-en-2-one?
The canonical SMILES for 9-ethoxy-6,9-dimethylundec-3-en-2-one is CCOC(C)(CC)CCC(C)CC=CC(C)=O.
What is the InChIKey of 9-ethoxy-6,9-dimethylundec-3-en-2-one?
The InChIKey is QYRAOVUSRWEGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-6-15(5,17-7-2)12-11-13(3)9-8-10-14(4)16/h8,10,13H,6-7,9,11-12H2,1-5H3.
What are the key properties of 9-ethoxy-6,9-dimethylundec-3-en-2-one?
9-ethoxy-6,9-dimethylundec-3-en-2-one has a molecular weight of 240.39 g/mol, XLogP of 4.14, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethoxy-6,9-dimethylundec-3-en-2-one is sourced from PubChem (CID 54253889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).