methyl 2-[(2R,5R)-5-ethyloxolan-2-yl]acetate

C9H16O3 — CID 10773528

IUPACmethyl 2-[(2R,5R)-5-ethyloxolan-2-yl]acetate
SMILESCC[C@@H]1CC[C@H](CC(=O)OC)O1
InChIInChI=1S/C9H16O3/c1-3-7-4-5-8(12-7)6-9(10)11-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyXVAOWHBYCIAWIB-HTQZYQBOSA-N
MW172.22 g/mol
LogP1.51
Rot. Bonds3

About methyl 2-[(2R,5R)-5-ethyloxolan-2-yl]acetate

methyl 2-[(2R,5R)-5-ethyloxolan-2-yl]acetate (PubChem CID 10773528) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is methyl 2-[(2R,5R)-5-ethyloxolan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,5R)-5-ethyloxolan-2-yl]acetate
PubChem CID10773528
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Namemethyl 2-[(2R,5R)-5-ethyloxolan-2-yl]acetate
SMILESCC[C@@H]1CC[C@H](CC(=O)OC)O1
InChIInChI=1S/C9H16O3/c1-3-7-4-5-8(12-7)6-9(10)11-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyXVAOWHBYCIAWIB-HTQZYQBOSA-N
XLogP1.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,5R)-5-ethyloxolan-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,5R)-5-ethyloxolan-2-yl]acetate (CID 10773528) is methyl 2-[(2R,5R)-5-ethyloxolan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,5R)-5-ethyloxolan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,5R)-5-ethyloxolan-2-yl]acetate is CC[C@@H]1CC[C@H](CC(=O)OC)O1.
What is the InChIKey of methyl 2-[(2R,5R)-5-ethyloxolan-2-yl]acetate?
The InChIKey is XVAOWHBYCIAWIB-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-7-4-5-8(12-7)6-9(10)11-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of methyl 2-[(2R,5R)-5-ethyloxolan-2-yl]acetate?
methyl 2-[(2R,5R)-5-ethyloxolan-2-yl]acetate has a molecular weight of 172.22 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,5R)-5-ethyloxolan-2-yl]acetate is sourced from PubChem (CID 10773528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).