1-(2-methoxyethoxy)oct-7-en-3-one

C11H20O3 — CID 102927341

IUPAC1-(2-methoxyethoxy)oct-7-en-3-one
SMILESC=CCCCC(=O)CCOCCOC
InChIInChI=1S/C11H20O3/c1-3-4-5-6-11(12)7-8-14-10-9-13-2/h3H,1,4-10H2,2H3
InChIKeySTFUCLTWKRXQMI-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.96
Rot. Bonds10

About 1-(2-methoxyethoxy)oct-7-en-3-one

1-(2-methoxyethoxy)oct-7-en-3-one (PubChem CID 102927341) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)oct-7-en-3-one.

Molecular Properties

Compound Name1-(2-methoxyethoxy)oct-7-en-3-one
PubChem CID102927341
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name1-(2-methoxyethoxy)oct-7-en-3-one
SMILESC=CCCCC(=O)CCOCCOC
InChIInChI=1S/C11H20O3/c1-3-4-5-6-11(12)7-8-14-10-9-13-2/h3H,1,4-10H2,2H3
InChIKeySTFUCLTWKRXQMI-UHFFFAOYSA-N
XLogP1.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
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

1-(2-methoxyethoxy)heptan-3-one
CID 102927335
non-8-en-4-one
CID 11137251
1-(2-methoxyethoxy)oct-7-yn-3-one
CID 102927462
1-(methoxymethoxy)oct-7-en-2-one
CID 101480489
3-pent-4-enoxypropanoic acid
CID 10034873
tricosa-1,22-dien-12-one
CID 86210796
1-(3,6-dioxonon-8-enoxy)non-8-ene-3,6-dione
CID 151005646
tris[2-(2-methoxyethoxy)ethoxy]-pent-4-enylsilane
CID 87934278
ethyl 3-pent-4-enoxypropanoate
CID 79113239
(6E)-8-(2-methoxyethoxy)octa-1,6-diene
CID 11344418
1-dimethoxyphosphoryloct-7-en-2-one
CID 15283785
azane;2-methoxyethyl undec-10-enoate
CID 174560084

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)oct-7-en-3-one?
The IUPAC name of 1-(2-methoxyethoxy)oct-7-en-3-one (CID 102927341) is 1-(2-methoxyethoxy)oct-7-en-3-one.
What is the SMILES notation for 1-(2-methoxyethoxy)oct-7-en-3-one?
The canonical SMILES for 1-(2-methoxyethoxy)oct-7-en-3-one is C=CCCCC(=O)CCOCCOC.
What is the InChIKey of 1-(2-methoxyethoxy)oct-7-en-3-one?
The InChIKey is STFUCLTWKRXQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-4-5-6-11(12)7-8-14-10-9-13-2/h3H,1,4-10H2,2H3.
What are the key properties of 1-(2-methoxyethoxy)oct-7-en-3-one?
1-(2-methoxyethoxy)oct-7-en-3-one has a molecular weight of 200.28 g/mol, XLogP of 1.96, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)oct-7-en-3-one is sourced from PubChem (CID 102927341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).