oxan-2-ylmethyl 2-cyclohexyloxyacetate

C14H24O4 — CID 78888478

IUPACoxan-2-ylmethyl 2-cyclohexyloxyacetate
SMILESO=C(COC1CCCCC1)OCC1CCCCO1
InChIInChI=1S/C14H24O4/c15-14(11-17-12-6-2-1-3-7-12)18-10-13-8-4-5-9-16-13/h12-13H,1-11H2
InChIKeyUXCBELPNWBEBDT-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.45
Rot. Bonds5

About oxan-2-ylmethyl 2-cyclohexyloxyacetate

oxan-2-ylmethyl 2-cyclohexyloxyacetate (PubChem CID 78888478) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is oxan-2-ylmethyl 2-cyclohexyloxyacetate.

Molecular Properties

Compound Nameoxan-2-ylmethyl 2-cyclohexyloxyacetate
PubChem CID78888478
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Nameoxan-2-ylmethyl 2-cyclohexyloxyacetate
SMILESO=C(COC1CCCCC1)OCC1CCCCO1
InChIInChI=1S/C14H24O4/c15-14(11-17-12-6-2-1-3-7-12)18-10-13-8-4-5-9-16-13/h12-13H,1-11H2
InChIKeyUXCBELPNWBEBDT-UHFFFAOYSA-N
XLogP2.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-2-ylmethyl 2-piperidin-4-yloxyacetate
CID 63869920
oxan-2-ylmethyl 3-aminopropanoate
CID 61279646
oxan-2-ylmethyl 2-cyclopentylacetate
CID 78788812
oxan-2-ylmethyl 3-(oxolan-2-ylmethoxy)propanoate
CID 78885532
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
oxan-2-ylmethyl 2-(1-aminocyclopentyl)acetate
CID 64700220
oxan-2-ylmethyl 2-(4-bromophenoxy)acetate
CID 78769379
oxolan-2-ylmethyl 3-aminopropanoate
CID 22321347
oxan-2-ylmethyl 2-amino-2-cyclohexylacetate
CID 61277423
oxan-2-ylmethyl 2-(4-acetylphenoxy)acetate
CID 86976925
oxan-2-ylmethyl azepane-2-carboxylate
CID 64561712
oxan-2-ylmethyl 4-amino-3-methoxybutanoate
CID 103158081

Frequently Asked Questions

What is the IUPAC name of oxan-2-ylmethyl 2-cyclohexyloxyacetate?
The IUPAC name of oxan-2-ylmethyl 2-cyclohexyloxyacetate (CID 78888478) is oxan-2-ylmethyl 2-cyclohexyloxyacetate.
What is the SMILES notation for oxan-2-ylmethyl 2-cyclohexyloxyacetate?
The canonical SMILES for oxan-2-ylmethyl 2-cyclohexyloxyacetate is O=C(COC1CCCCC1)OCC1CCCCO1.
What is the InChIKey of oxan-2-ylmethyl 2-cyclohexyloxyacetate?
The InChIKey is UXCBELPNWBEBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c15-14(11-17-12-6-2-1-3-7-12)18-10-13-8-4-5-9-16-13/h12-13H,1-11H2.
What are the key properties of oxan-2-ylmethyl 2-cyclohexyloxyacetate?
oxan-2-ylmethyl 2-cyclohexyloxyacetate has a molecular weight of 256.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-ylmethyl 2-cyclohexyloxyacetate is sourced from PubChem (CID 78888478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).