(E)-1-methoxynon-1-en-5-one

C10H18O2 — CID 12757752

IUPAC(E)-1-methoxynon-1-en-5-one
SMILESCCCCC(=O)CC/C=C/OC
InChIInChI=1S/C10H18O2/c1-3-4-7-10(11)8-5-6-9-12-2/h6,9H,3-5,7-8H2,1-2H3/b9-6+
InChIKeyOJOFNGCBFNDBRW-RMKNXTFCSA-N
MW170.25 g/mol
LogP2.69
Rot. Bonds7

About (E)-1-methoxynon-1-en-5-one

(E)-1-methoxynon-1-en-5-one (PubChem CID 12757752) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (E)-1-methoxynon-1-en-5-one.

Molecular Properties

Compound Name(E)-1-methoxynon-1-en-5-one
PubChem CID12757752
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(E)-1-methoxynon-1-en-5-one
SMILESCCCCC(=O)CC/C=C/OC
InChIInChI=1S/C10H18O2/c1-3-4-7-10(11)8-5-6-9-12-2/h6,9H,3-5,7-8H2,1-2H3/b9-6+
InChIKeyOJOFNGCBFNDBRW-RMKNXTFCSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-methoxynon-1-en-5-one?
The IUPAC name of (E)-1-methoxynon-1-en-5-one (CID 12757752) is (E)-1-methoxynon-1-en-5-one.
What is the SMILES notation for (E)-1-methoxynon-1-en-5-one?
The canonical SMILES for (E)-1-methoxynon-1-en-5-one is CCCCC(=O)CC/C=C/OC.
What is the InChIKey of (E)-1-methoxynon-1-en-5-one?
The InChIKey is OJOFNGCBFNDBRW-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-4-7-10(11)8-5-6-9-12-2/h6,9H,3-5,7-8H2,1-2H3/b9-6+.
What are the key properties of (E)-1-methoxynon-1-en-5-one?
(E)-1-methoxynon-1-en-5-one has a molecular weight of 170.25 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxynon-1-en-5-one is sourced from PubChem (CID 12757752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).