ethyl 7-(methoxymethoxy)-3-oxonon-8-enoate

C13H22O5 — CID 118179619

IUPACethyl 7-(methoxymethoxy)-3-oxonon-8-enoate
SMILESC=CC(CCCC(=O)CC(=O)OCC)OCOC
InChIInChI=1S/C13H22O5/c1-4-12(18-10-16-3)8-6-7-11(14)9-13(15)17-5-2/h4,12H,1,5-10H2,2-3H3
InChIKeyHGMQGFNCMVFALU-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.85
Rot. Bonds11

About ethyl 7-(methoxymethoxy)-3-oxonon-8-enoate

ethyl 7-(methoxymethoxy)-3-oxonon-8-enoate (PubChem CID 118179619) has the molecular formula C13H22O5 and a molecular weight of 258.31 g/mol. Its IUPAC name is ethyl 7-(methoxymethoxy)-3-oxonon-8-enoate.

Molecular Properties

Compound Nameethyl 7-(methoxymethoxy)-3-oxonon-8-enoate
PubChem CID118179619
Molecular FormulaC13H22O5
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Nameethyl 7-(methoxymethoxy)-3-oxonon-8-enoate
SMILESC=CC(CCCC(=O)CC(=O)OCC)OCOC
InChIInChI=1S/C13H22O5/c1-4-12(18-10-16-3)8-6-7-11(14)9-13(15)17-5-2/h4,12H,1,5-10H2,2-3H3
InChIKeyHGMQGFNCMVFALU-UHFFFAOYSA-N
XLogP1.85
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

diethyl 3,16-dioxooctadecanedioate
CID 23533061
3-(methoxymethoxy)oct-1-ene;oct-1-en-3-ol
CID 161465176
ethyl 3-oxodec-9-enoate
CID 10036105
ethyl 3-oxoheptanoate
CID 559036
(8S)-8-(methoxymethoxy)dec-9-en-1-ol
CID 24862520
ethyl 7-methyl-3-oxooct-7-enoate
CID 86161613
(2R,5R)-5-(methoxymethoxy)hept-6-en-2-ol
CID 44604186
1-O-ethyl 5-O-(methoxymethyl) pentanedioate
CID 174421826
2-ethenyl-6-ethoxy-6-oxohexanoic acid
CID 88820425
methyl (5R)-5-formyloxyhept-6-enoate
CID 174511231
ethyl (4S)-4-(methoxymethoxy)octadecanoate
CID 71567301
ethyl (E)-6-methyl-3-oxooct-6-enoate
CID 10798015

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(methoxymethoxy)-3-oxonon-8-enoate?
The IUPAC name of ethyl 7-(methoxymethoxy)-3-oxonon-8-enoate (CID 118179619) is ethyl 7-(methoxymethoxy)-3-oxonon-8-enoate.
What is the SMILES notation for ethyl 7-(methoxymethoxy)-3-oxonon-8-enoate?
The canonical SMILES for ethyl 7-(methoxymethoxy)-3-oxonon-8-enoate is C=CC(CCCC(=O)CC(=O)OCC)OCOC.
What is the InChIKey of ethyl 7-(methoxymethoxy)-3-oxonon-8-enoate?
The InChIKey is HGMQGFNCMVFALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5/c1-4-12(18-10-16-3)8-6-7-11(14)9-13(15)17-5-2/h4,12H,1,5-10H2,2-3H3.
What are the key properties of ethyl 7-(methoxymethoxy)-3-oxonon-8-enoate?
ethyl 7-(methoxymethoxy)-3-oxonon-8-enoate has a molecular weight of 258.31 g/mol, XLogP of 1.85, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(methoxymethoxy)-3-oxonon-8-enoate is sourced from PubChem (CID 118179619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).