2-ethoxy-2-methyldodec-11-en-3-one

C15H28O2 — CID 167140971

IUPAC2-ethoxy-2-methyldodec-11-en-3-one
SMILESC=CCCCCCCCC(=O)C(C)(C)OCC
InChIInChI=1S/C15H28O2/c1-5-7-8-9-10-11-12-13-14(16)15(3,4)17-6-2/h5H,1,6-13H2,2-4H3
InChIKeyMOXWXJAASFEQHS-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.29
Rot. Bonds11

About 2-ethoxy-2-methyldodec-11-en-3-one

2-ethoxy-2-methyldodec-11-en-3-one (PubChem CID 167140971) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-ethoxy-2-methyldodec-11-en-3-one.

Molecular Properties

Compound Name2-ethoxy-2-methyldodec-11-en-3-one
PubChem CID167140971
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-ethoxy-2-methyldodec-11-en-3-one
SMILESC=CCCCCCCCC(=O)C(C)(C)OCC
InChIInChI=1S/C15H28O2/c1-5-7-8-9-10-11-12-13-14(16)15(3,4)17-6-2/h5H,1,6-13H2,2-4H3
InChIKeyMOXWXJAASFEQHS-UHFFFAOYSA-N
XLogP4.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyldodec-11-en-3-one?
The IUPAC name of 2-ethoxy-2-methyldodec-11-en-3-one (CID 167140971) is 2-ethoxy-2-methyldodec-11-en-3-one.
What is the SMILES notation for 2-ethoxy-2-methyldodec-11-en-3-one?
The canonical SMILES for 2-ethoxy-2-methyldodec-11-en-3-one is C=CCCCCCCCC(=O)C(C)(C)OCC.
What is the InChIKey of 2-ethoxy-2-methyldodec-11-en-3-one?
The InChIKey is MOXWXJAASFEQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-5-7-8-9-10-11-12-13-14(16)15(3,4)17-6-2/h5H,1,6-13H2,2-4H3.
What are the key properties of 2-ethoxy-2-methyldodec-11-en-3-one?
2-ethoxy-2-methyldodec-11-en-3-one has a molecular weight of 240.39 g/mol, XLogP of 4.29, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyldodec-11-en-3-one is sourced from PubChem (CID 167140971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).