5-[(3-ethyloxetan-3-yl)methoxy]-2-methylidenepentanoic acid

C12H20O4 — CID 68640152

IUPAC5-[(3-ethyloxetan-3-yl)methoxy]-2-methylidenepentanoic acid
SMILESC=C(CCCOCC1(CC)COC1)C(=O)O
InChIInChI=1S/C12H20O4/c1-3-12(8-16-9-12)7-15-6-4-5-10(2)11(13)14/h2-9H2,1H3,(H,13,14)
InChIKeyQZGOLLDANPZXCW-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.85
Rot. Bonds8

About 5-[(3-ethyloxetan-3-yl)methoxy]-2-methylidenepentanoic acid

5-[(3-ethyloxetan-3-yl)methoxy]-2-methylidenepentanoic acid (PubChem CID 68640152) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 5-[(3-ethyloxetan-3-yl)methoxy]-2-methylidenepentanoic acid.

Molecular Properties

Compound Name5-[(3-ethyloxetan-3-yl)methoxy]-2-methylidenepentanoic acid
PubChem CID68640152
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name5-[(3-ethyloxetan-3-yl)methoxy]-2-methylidenepentanoic acid
SMILESC=C(CCCOCC1(CC)COC1)C(=O)O
InChIInChI=1S/C12H20O4/c1-3-12(8-16-9-12)7-15-6-4-5-10(2)11(13)14/h2-9H2,1H3,(H,13,14)
InChIKeyQZGOLLDANPZXCW-UHFFFAOYSA-N
XLogP1.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(butoxymethyl)-3-ethyloxetane;3,3-diethyloxetane
CID 160915976
4-[(3-ethyloxetan-3-yl)methoxy]butan-1-ol
CID 161051852
3-ethyl-3-(octadecoxymethyl)oxetane
CID 22496628
3-[(3-ethyloxetan-3-yl)methoxy]propyl-hydroxy-dimethylsilane
CID 59434230
2-methylidene-5-pentoxypentanoic acid
CID 87899269
3-ethyl-3-(4-methoxybutoxymethyl)oxetane;3-ethyl-3-(6-methoxyhexoxymethyl)oxetane;3-ethyl-3-(5-methoxypentoxymethyl)oxetane;3-ethyl-3-(3-methoxypropoxymethyl)oxetane
CID 157403854
[3-[(3-ethyloxetan-3-yl)methoxymethyl]oxetan-3-yl]methanol
CID 141464010
2-methylidene-6-propoxyhexanoic acid
CID 54278794
1-[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]phenyl]ethanone
CID 59318851
5-(2-ethoxyethoxy)-2-methylidenepentanoic acid;5-(2-methoxyethoxy)-2-methylidenepentanoic acid
CID 87657263
bis[(3-ethyloxetan-3-yl)methyl] carbonate;dimethylsilyloxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethylsilane
CID 158300054
methyl 4-[4-[(3-ethyloxetan-3-yl)methoxy]butoxy]benzoate
CID 59197240

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyloxetan-3-yl)methoxy]-2-methylidenepentanoic acid?
The IUPAC name of 5-[(3-ethyloxetan-3-yl)methoxy]-2-methylidenepentanoic acid (CID 68640152) is 5-[(3-ethyloxetan-3-yl)methoxy]-2-methylidenepentanoic acid.
What is the SMILES notation for 5-[(3-ethyloxetan-3-yl)methoxy]-2-methylidenepentanoic acid?
The canonical SMILES for 5-[(3-ethyloxetan-3-yl)methoxy]-2-methylidenepentanoic acid is C=C(CCCOCC1(CC)COC1)C(=O)O.
What is the InChIKey of 5-[(3-ethyloxetan-3-yl)methoxy]-2-methylidenepentanoic acid?
The InChIKey is QZGOLLDANPZXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-3-12(8-16-9-12)7-15-6-4-5-10(2)11(13)14/h2-9H2,1H3,(H,13,14).
What are the key properties of 5-[(3-ethyloxetan-3-yl)methoxy]-2-methylidenepentanoic acid?
5-[(3-ethyloxetan-3-yl)methoxy]-2-methylidenepentanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethyloxetan-3-yl)methoxy]-2-methylidenepentanoic acid is sourced from PubChem (CID 68640152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).