1-(2-methoxyethoxy)-5-methylideneheptan-3-one

C11H20O3 — CID 102927346

IUPAC1-(2-methoxyethoxy)-5-methylideneheptan-3-one
SMILESC=C(CC)CC(=O)CCOCCOC
InChIInChI=1S/C11H20O3/c1-4-10(2)9-11(12)5-6-14-8-7-13-3/h2,4-9H2,1,3H3
InChIKeyTUZUGGVROHYXAL-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.96
Rot. Bonds9

About 1-(2-methoxyethoxy)-5-methylideneheptan-3-one

1-(2-methoxyethoxy)-5-methylideneheptan-3-one (PubChem CID 102927346) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-5-methylideneheptan-3-one.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-5-methylideneheptan-3-one
PubChem CID102927346
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name1-(2-methoxyethoxy)-5-methylideneheptan-3-one
SMILESC=C(CC)CC(=O)CCOCCOC
InChIInChI=1S/C11H20O3/c1-4-10(2)9-11(12)5-6-14-8-7-13-3/h2,4-9H2,1,3H3
InChIKeyTUZUGGVROHYXAL-UHFFFAOYSA-N
XLogP1.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-Methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-one
CID 103146851
6-Methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-one
CID 103147013
1-(2,2-Difluoroethoxy)-5-methylideneheptan-3-one
CID 103147143
1-(2,2-Difluoroethoxy)-6-methylhept-6-en-3-one
CID 103147351
7-Ethoxy-2-methylhept-1-en-4-one
CID 105112587
7-(2-Methoxyethoxy)-2-methylhept-1-en-3-one
CID 118214466
[1-(4-Methylpent-4-enoxy)-5-oxoheptan-2-yl] hypoiodite
CID 169913469
1-(1,4-Dioxan-2-yl)-3-methylidenehexan-2-one
CID 174873894
1-Methoxyoct-7-en-3-one
CID 64315896
1-(1,4-Dioxan-2-yl)-3-methylidenepentan-1-one
CID 66043840
4-Methylidene-1-(oxolan-2-yl)hexan-2-one
CID 66044803
1-Methoxy-5-methylideneheptan-3-one
CID 66046234

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-5-methylideneheptan-3-one?
The IUPAC name of 1-(2-methoxyethoxy)-5-methylideneheptan-3-one (CID 102927346) is 1-(2-methoxyethoxy)-5-methylideneheptan-3-one.
What is the SMILES notation for 1-(2-methoxyethoxy)-5-methylideneheptan-3-one?
The canonical SMILES for 1-(2-methoxyethoxy)-5-methylideneheptan-3-one is C=C(CC)CC(=O)CCOCCOC.
What is the InChIKey of 1-(2-methoxyethoxy)-5-methylideneheptan-3-one?
The InChIKey is TUZUGGVROHYXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-10(2)9-11(12)5-6-14-8-7-13-3/h2,4-9H2,1,3H3.
What are the key properties of 1-(2-methoxyethoxy)-5-methylideneheptan-3-one?
1-(2-methoxyethoxy)-5-methylideneheptan-3-one has a molecular weight of 200.28 g/mol, XLogP of 1.96, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-5-methylideneheptan-3-one is sourced from PubChem (CID 102927346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).