8-methoxynon-8-en-4-one

C10H18O2 — CID 130318463

IUPAC8-methoxynon-8-en-4-one
SMILESC=C(CCCC(=O)CCC)OC
InChIInChI=1S/C10H18O2/c1-4-6-10(11)8-5-7-9(2)12-3/h2,4-8H2,1,3H3
InChIKeyVOPQKKKPUWWZKU-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.69
Rot. Bonds7

About 8-methoxynon-8-en-4-one

8-methoxynon-8-en-4-one (PubChem CID 130318463) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 8-methoxynon-8-en-4-one.

Molecular Properties

Compound Name8-methoxynon-8-en-4-one
PubChem CID130318463
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name8-methoxynon-8-en-4-one
SMILESC=C(CCCC(=O)CCC)OC
InChIInChI=1S/C10H18O2/c1-4-6-10(11)8-5-7-9(2)12-3/h2,4-8H2,1,3H3
InChIKeyVOPQKKKPUWWZKU-UHFFFAOYSA-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 8-methoxynon-8-en-4-one?
The IUPAC name of 8-methoxynon-8-en-4-one (CID 130318463) is 8-methoxynon-8-en-4-one.
What is the SMILES notation for 8-methoxynon-8-en-4-one?
The canonical SMILES for 8-methoxynon-8-en-4-one is C=C(CCCC(=O)CCC)OC.
What is the InChIKey of 8-methoxynon-8-en-4-one?
The InChIKey is VOPQKKKPUWWZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-6-10(11)8-5-7-9(2)12-3/h2,4-8H2,1,3H3.
What are the key properties of 8-methoxynon-8-en-4-one?
8-methoxynon-8-en-4-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 8-methoxynon-8-en-4-one is sourced from PubChem (CID 130318463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).