(E)-1-methoxynon-3-en-2-one

C10H18O2 — CID 12035689

IUPAC(E)-1-methoxynon-3-en-2-one
SMILESCCCCC/C=C/C(=O)COC
InChIInChI=1S/C10H18O2/c1-3-4-5-6-7-8-10(11)9-12-2/h7-8H,3-6,9H2,1-2H3/b8-7+
InChIKeyCSKOHNGPDYGGMH-BQYQJAHWSA-N
MW170.25 g/mol
LogP2.34
Rot. Bonds7

About (E)-1-methoxynon-3-en-2-one

(E)-1-methoxynon-3-en-2-one (PubChem CID 12035689) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (E)-1-methoxynon-3-en-2-one.

Molecular Properties

Compound Name(E)-1-methoxynon-3-en-2-one
PubChem CID12035689
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(E)-1-methoxynon-3-en-2-one
SMILESCCCCC/C=C/C(=O)COC
InChIInChI=1S/C10H18O2/c1-3-4-5-6-7-8-10(11)9-12-2/h7-8H,3-6,9H2,1-2H3/b8-7+
InChIKeyCSKOHNGPDYGGMH-BQYQJAHWSA-N
XLogP2.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-methoxynon-3-en-2-one?
The IUPAC name of (E)-1-methoxynon-3-en-2-one (CID 12035689) is (E)-1-methoxynon-3-en-2-one.
What is the SMILES notation for (E)-1-methoxynon-3-en-2-one?
The canonical SMILES for (E)-1-methoxynon-3-en-2-one is CCCCC/C=C/C(=O)COC.
What is the InChIKey of (E)-1-methoxynon-3-en-2-one?
The InChIKey is CSKOHNGPDYGGMH-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-4-5-6-7-8-10(11)9-12-2/h7-8H,3-6,9H2,1-2H3/b8-7+.
What are the key properties of (E)-1-methoxynon-3-en-2-one?
(E)-1-methoxynon-3-en-2-one has a molecular weight of 170.25 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxynon-3-en-2-one is sourced from PubChem (CID 12035689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).