[(2R)-oxolan-2-yl]methyl propanoate

C8H14O3 — CID 36691172

IUPAC[(2R)-oxolan-2-yl]methyl propanoate
SMILESCCC(=O)OC[C@H]1CCCO1
InChIInChI=1S/C8H14O3/c1-2-8(9)11-6-7-4-3-5-10-7/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyFMKCDSXOYLTWBR-SSDOTTSWSA-N
MW158.20 g/mol
LogP1.12
Rot. Bonds3

About [(2R)-oxolan-2-yl]methyl propanoate

[(2R)-oxolan-2-yl]methyl propanoate (PubChem CID 36691172) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]methyl propanoate.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]methyl propanoate
PubChem CID36691172
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name[(2R)-oxolan-2-yl]methyl propanoate
SMILESCCC(=O)OC[C@H]1CCCO1
InChIInChI=1S/C8H14O3/c1-2-8(9)11-6-7-4-3-5-10-7/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyFMKCDSXOYLTWBR-SSDOTTSWSA-N
XLogP1.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

oxolan-2-ylmethyl 3-aminopropanoate
CID 22321347
oxolan-2-ylmethyl 2-aminopropanoate
CID 61279087
ethyl 2-[[(2R)-oxolan-2-yl]methoxy]acetate
CID 28940137
oxolan-2-ylmethyl 5-hydroxy-4-oxopentanoate
CID 174653429
1-O-heptyl 5-O-(oxolan-2-ylmethyl) pentanedioate
CID 91695874
1-O-hexyl 5-O-(oxolan-2-ylmethyl) pentanedioate
CID 91695857
oxetan-2-ylmethyl butanoate
CID 150335397
2-oxo-2-(oxolan-2-ylmethoxy)acetic acid
CID 154107225
oxan-2-ylmethyl 3-aminopropanoate
CID 61279646
oxolan-2-ylmethyl 2-aminopropanoate;hydrochloride
CID 139215530
oxan-2-ylmethyl 2-cyclopentylacetate
CID 78788812
6-(oxolan-2-ylmethoxy)hexan-3-one
CID 106801896

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]methyl propanoate?
The IUPAC name of [(2R)-oxolan-2-yl]methyl propanoate (CID 36691172) is [(2R)-oxolan-2-yl]methyl propanoate.
What is the SMILES notation for [(2R)-oxolan-2-yl]methyl propanoate?
The canonical SMILES for [(2R)-oxolan-2-yl]methyl propanoate is CCC(=O)OC[C@H]1CCCO1.
What is the InChIKey of [(2R)-oxolan-2-yl]methyl propanoate?
The InChIKey is FMKCDSXOYLTWBR-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-8(9)11-6-7-4-3-5-10-7/h7H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]methyl propanoate?
[(2R)-oxolan-2-yl]methyl propanoate has a molecular weight of 158.20 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]methyl propanoate is sourced from PubChem (CID 36691172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).