(E)-1-methoxydec-1-en-3-one

C11H20O2 — CID 14063551

IUPAC(E)-1-methoxydec-1-en-3-one
SMILESCCCCCCCC(=O)/C=C/OC
InChIInChI=1S/C11H20O2/c1-3-4-5-6-7-8-11(12)9-10-13-2/h9-10H,3-8H2,1-2H3/b10-9+
InChIKeyZOZVJCISLRZSNW-MDZDMXLPSA-N
MW184.28 g/mol
LogP3.08
Rot. Bonds8

About (E)-1-methoxydec-1-en-3-one

(E)-1-methoxydec-1-en-3-one (PubChem CID 14063551) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (E)-1-methoxydec-1-en-3-one.

Molecular Properties

Compound Name(E)-1-methoxydec-1-en-3-one
PubChem CID14063551
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(E)-1-methoxydec-1-en-3-one
SMILESCCCCCCCC(=O)/C=C/OC
InChIInChI=1S/C11H20O2/c1-3-4-5-6-7-8-11(12)9-10-13-2/h9-10H,3-8H2,1-2H3/b10-9+
InChIKeyZOZVJCISLRZSNW-MDZDMXLPSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-methoxydec-1-en-3-one?
The IUPAC name of (E)-1-methoxydec-1-en-3-one (CID 14063551) is (E)-1-methoxydec-1-en-3-one.
What is the SMILES notation for (E)-1-methoxydec-1-en-3-one?
The canonical SMILES for (E)-1-methoxydec-1-en-3-one is CCCCCCCC(=O)/C=C/OC.
What is the InChIKey of (E)-1-methoxydec-1-en-3-one?
The InChIKey is ZOZVJCISLRZSNW-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-4-5-6-7-8-11(12)9-10-13-2/h9-10H,3-8H2,1-2H3/b10-9+.
What are the key properties of (E)-1-methoxydec-1-en-3-one?
(E)-1-methoxydec-1-en-3-one has a molecular weight of 184.28 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxydec-1-en-3-one is sourced from PubChem (CID 14063551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).