oxetan-2-ylmethyl 2,2-dimethylbutanoate

C10H18O3 — CID 54373622

IUPACoxetan-2-ylmethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC1CCO1
InChIInChI=1S/C10H18O3/c1-4-10(2,3)9(11)13-7-8-5-6-12-8/h8H,4-7H2,1-3H3
InChIKeyUUYMCWYEQDJCKH-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.75
Rot. Bonds4

About oxetan-2-ylmethyl 2,2-dimethylbutanoate

oxetan-2-ylmethyl 2,2-dimethylbutanoate (PubChem CID 54373622) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is oxetan-2-ylmethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Nameoxetan-2-ylmethyl 2,2-dimethylbutanoate
PubChem CID54373622
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nameoxetan-2-ylmethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC1CCO1
InChIInChI=1S/C10H18O3/c1-4-10(2,3)9(11)13-7-8-5-6-12-8/h8H,4-7H2,1-3H3
InChIKeyUUYMCWYEQDJCKH-UHFFFAOYSA-N
XLogP1.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxetan-2-ylmethyl 2,2-dimethylbutanoate?
The IUPAC name of oxetan-2-ylmethyl 2,2-dimethylbutanoate (CID 54373622) is oxetan-2-ylmethyl 2,2-dimethylbutanoate.
What is the SMILES notation for oxetan-2-ylmethyl 2,2-dimethylbutanoate?
The canonical SMILES for oxetan-2-ylmethyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCC1CCO1.
What is the InChIKey of oxetan-2-ylmethyl 2,2-dimethylbutanoate?
The InChIKey is UUYMCWYEQDJCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-10(2,3)9(11)13-7-8-5-6-12-8/h8H,4-7H2,1-3H3.
What are the key properties of oxetan-2-ylmethyl 2,2-dimethylbutanoate?
oxetan-2-ylmethyl 2,2-dimethylbutanoate has a molecular weight of 186.25 g/mol, XLogP of 1.75, 4 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-dimethylbutanoate is sourced from PubChem (CID 54373622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).