oxetan-2-ylmethyl 2,2-dimethylpentanoate

C11H20O3 — CID 54263198

IUPACoxetan-2-ylmethyl 2,2-dimethylpentanoate
SMILESCCCC(C)(C)C(=O)OCC1CCO1
InChIInChI=1S/C11H20O3/c1-4-6-11(2,3)10(12)14-8-9-5-7-13-9/h9H,4-8H2,1-3H3
InChIKeyREYHGHKUPBAISC-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.14
Rot. Bonds5

About oxetan-2-ylmethyl 2,2-dimethylpentanoate

oxetan-2-ylmethyl 2,2-dimethylpentanoate (PubChem CID 54263198) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is oxetan-2-ylmethyl 2,2-dimethylpentanoate.

Molecular Properties

Compound Nameoxetan-2-ylmethyl 2,2-dimethylpentanoate
PubChem CID54263198
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nameoxetan-2-ylmethyl 2,2-dimethylpentanoate
SMILESCCCC(C)(C)C(=O)OCC1CCO1
InChIInChI=1S/C11H20O3/c1-4-6-11(2,3)10(12)14-8-9-5-7-13-9/h9H,4-8H2,1-3H3
InChIKeyREYHGHKUPBAISC-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Tert-butyl-3,3-dimethyloxetan-2-one
CID 10329510
ethyl 3-[(2S)-3,3-dimethyloxetan-2-yl]propanoate
CID 155931556
[(2S,4S)-3,3,4-trimethyloxetan-2-yl]methyl acetate
CID 15496905
[(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]methyl acetate
CID 15496907
Propan-2-yl 2,2,4,4-tetramethylpentanoate
CID 9813071
Propan-2-yl 2,2-dimethylpentanoate
CID 12032608
Oxiran-2-ylmethyl 2,2-dimethylpentanoate
CID 14941626
Oxiran-2-ylmethyl 2,2,4,4-tetramethylpentanoate
CID 14941628
2-Methoxyethyl 4-acetyloxy-2-ethyl-2-methylpentanoate
CID 20669728
Butan-2-yl 2,2-dimethylpentanoate
CID 54188748
Oxetan-2-ylmethyl 2,2-dimethylbutanoate
CID 54373622
(2-Ethyloxetan-2-yl)methyl 2,2-dimethylbutanoate
CID 57646259

Frequently Asked Questions

What is the IUPAC name of oxetan-2-ylmethyl 2,2-dimethylpentanoate?
The IUPAC name of oxetan-2-ylmethyl 2,2-dimethylpentanoate (CID 54263198) is oxetan-2-ylmethyl 2,2-dimethylpentanoate.
What is the SMILES notation for oxetan-2-ylmethyl 2,2-dimethylpentanoate?
The canonical SMILES for oxetan-2-ylmethyl 2,2-dimethylpentanoate is CCCC(C)(C)C(=O)OCC1CCO1.
What is the InChIKey of oxetan-2-ylmethyl 2,2-dimethylpentanoate?
The InChIKey is REYHGHKUPBAISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-6-11(2,3)10(12)14-8-9-5-7-13-9/h9H,4-8H2,1-3H3.
What are the key properties of oxetan-2-ylmethyl 2,2-dimethylpentanoate?
oxetan-2-ylmethyl 2,2-dimethylpentanoate has a molecular weight of 200.28 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-2-ylmethyl 2,2-dimethylpentanoate is sourced from PubChem (CID 54263198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).