oxan-2-ylmethyl 2-cyclopentylacetate

C13H22O3 — CID 78788812

IUPACoxan-2-ylmethyl 2-cyclopentylacetate
SMILESO=C(CC1CCCC1)OCC1CCCCO1
InChIInChI=1S/C13H22O3/c14-13(9-11-5-1-2-6-11)16-10-12-7-3-4-8-15-12/h11-12H,1-10H2
InChIKeyJWTJBWFHDJRIJC-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.68
Rot. Bonds4

About oxan-2-ylmethyl 2-cyclopentylacetate

oxan-2-ylmethyl 2-cyclopentylacetate (PubChem CID 78788812) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is oxan-2-ylmethyl 2-cyclopentylacetate.

Molecular Properties

Compound Nameoxan-2-ylmethyl 2-cyclopentylacetate
PubChem CID78788812
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Nameoxan-2-ylmethyl 2-cyclopentylacetate
SMILESO=C(CC1CCCC1)OCC1CCCCO1
InChIInChI=1S/C13H22O3/c14-13(9-11-5-1-2-6-11)16-10-12-7-3-4-8-15-12/h11-12H,1-10H2
InChIKeyJWTJBWFHDJRIJC-UHFFFAOYSA-N
XLogP2.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

oxan-2-ylmethyl 3-aminopropanoate
CID 61279646
oxolan-2-ylmethyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate
CID 79609187
oxan-2-ylmethyl 2-cyclohexyloxyacetate
CID 78888478
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
oxolan-2-ylmethyl 3-aminopropanoate
CID 22321347
oxan-2-ylmethyl 4-amino-3-methoxybutanoate
CID 103158081
ethyl 2-(oxepan-2-yl)acetate
CID 14174537
[4-(2-methylpropyl)morpholin-2-yl]methyl 2-cyclohexylacetate
CID 78831240
oxan-2-ylmethyl 2-amino-3-hydroxypropanoate
CID 61279858
oxan-2-ylmethyl 2-amino-2-cyclohexylacetate
CID 61277423

Frequently Asked Questions

What is the IUPAC name of oxan-2-ylmethyl 2-cyclopentylacetate?
The IUPAC name of oxan-2-ylmethyl 2-cyclopentylacetate (CID 78788812) is oxan-2-ylmethyl 2-cyclopentylacetate.
What is the SMILES notation for oxan-2-ylmethyl 2-cyclopentylacetate?
The canonical SMILES for oxan-2-ylmethyl 2-cyclopentylacetate is O=C(CC1CCCC1)OCC1CCCCO1.
What is the InChIKey of oxan-2-ylmethyl 2-cyclopentylacetate?
The InChIKey is JWTJBWFHDJRIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c14-13(9-11-5-1-2-6-11)16-10-12-7-3-4-8-15-12/h11-12H,1-10H2.
What are the key properties of oxan-2-ylmethyl 2-cyclopentylacetate?
oxan-2-ylmethyl 2-cyclopentylacetate has a molecular weight of 226.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-ylmethyl 2-cyclopentylacetate is sourced from PubChem (CID 78788812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).