6-methoxynon-1-en-5-one

C10H18O2 — CID 116708016

IUPAC6-methoxynon-1-en-5-one
SMILESC=CCCC(=O)C(CCC)OC
InChIInChI=1S/C10H18O2/c1-4-6-8-9(11)10(12-3)7-5-2/h4,10H,1,5-8H2,2-3H3
InChIKeyDUPUTNQNRXBWDQ-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.34
Rot. Bonds7

About 6-methoxynon-1-en-5-one

6-methoxynon-1-en-5-one (PubChem CID 116708016) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 6-methoxynon-1-en-5-one.

Molecular Properties

Compound Name6-methoxynon-1-en-5-one
PubChem CID116708016
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name6-methoxynon-1-en-5-one
SMILESC=CCCC(=O)C(CCC)OC
InChIInChI=1S/C10H18O2/c1-4-6-8-9(11)10(12-3)7-5-2/h4,10H,1,5-8H2,2-3H3
InChIKeyDUPUTNQNRXBWDQ-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methoxypentadecan-5-one
CID 116708152
4-ethoxydodec-11-en-5-one
CID 107008392
3-methoxyhept-6-en-2-one
CID 45085639
5-methoxy-2-methyloctan-4-one
CID 116708189
5-methoxynonan-4-one
CID 83225262
methyl 2-but-3-enyl-3-oxohept-6-enoate
CID 11424355
3-methoxy-2-oxohexanal
CID 91124811
4-methoxy-1-phenylheptan-3-one
CID 116708295
1-cyclopropyl-1-methoxyhex-5-en-2-one
CID 116708905
methyl (2R)-2-methoxypentanoate
CID 30403288
2,3-dimethyloct-7-en-4-one
CID 114974911
1,1-dimethoxyhept-6-en-2-one
CID 79492734

Frequently Asked Questions

What is the IUPAC name of 6-methoxynon-1-en-5-one?
The IUPAC name of 6-methoxynon-1-en-5-one (CID 116708016) is 6-methoxynon-1-en-5-one.
What is the SMILES notation for 6-methoxynon-1-en-5-one?
The canonical SMILES for 6-methoxynon-1-en-5-one is C=CCCC(=O)C(CCC)OC.
What is the InChIKey of 6-methoxynon-1-en-5-one?
The InChIKey is DUPUTNQNRXBWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-6-8-9(11)10(12-3)7-5-2/h4,10H,1,5-8H2,2-3H3.
What are the key properties of 6-methoxynon-1-en-5-one?
6-methoxynon-1-en-5-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 6-methoxynon-1-en-5-one is sourced from PubChem (CID 116708016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).