oxetan-2-yl cyclohexanecarboxylate

C10H16O3 — CID 91463497

IUPACoxetan-2-yl cyclohexanecarboxylate
SMILESO=C(OC1CCO1)C1CCCCC1
InChIInChI=1S/C10H16O3/c11-10(13-9-6-7-12-9)8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKeyIUFAPJWIDDGIGG-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.86
Rot. Bonds2

About oxetan-2-yl cyclohexanecarboxylate

oxetan-2-yl cyclohexanecarboxylate (PubChem CID 91463497) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is oxetan-2-yl cyclohexanecarboxylate.

Molecular Properties

Compound Nameoxetan-2-yl cyclohexanecarboxylate
PubChem CID91463497
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nameoxetan-2-yl cyclohexanecarboxylate
SMILESO=C(OC1CCO1)C1CCCCC1
InChIInChI=1S/C10H16O3/c11-10(13-9-6-7-12-9)8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKeyIUFAPJWIDDGIGG-UHFFFAOYSA-N
XLogP1.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxetan-2-yl cyclohexanecarboxylate?
The IUPAC name of oxetan-2-yl cyclohexanecarboxylate (CID 91463497) is oxetan-2-yl cyclohexanecarboxylate.
What is the SMILES notation for oxetan-2-yl cyclohexanecarboxylate?
The canonical SMILES for oxetan-2-yl cyclohexanecarboxylate is O=C(OC1CCO1)C1CCCCC1.
What is the InChIKey of oxetan-2-yl cyclohexanecarboxylate?
The InChIKey is IUFAPJWIDDGIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c11-10(13-9-6-7-12-9)8-4-2-1-3-5-8/h8-9H,1-7H2.
What are the key properties of oxetan-2-yl cyclohexanecarboxylate?
oxetan-2-yl cyclohexanecarboxylate has a molecular weight of 184.23 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-2-yl cyclohexanecarboxylate is sourced from PubChem (CID 91463497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).