ethyl 2-[(4R)-2-propyloxan-4-yl]acetate

C12H22O3 — CID 90143925

IUPACethyl 2-[(4R)-2-propyloxan-4-yl]acetate
SMILESCCCC1C[C@H](CC(=O)OCC)CCO1
InChIInChI=1S/C12H22O3/c1-3-5-11-8-10(6-7-15-11)9-12(13)14-4-2/h10-11H,3-9H2,1-2H3/t10-,11?/m1/s1
InChIKeyBSRAATRVJZDGNL-NFJWQWPMSA-N
MW214.30 g/mol
LogP2.53
Rot. Bonds5

About ethyl 2-[(4R)-2-propyloxan-4-yl]acetate

ethyl 2-[(4R)-2-propyloxan-4-yl]acetate (PubChem CID 90143925) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is ethyl 2-[(4R)-2-propyloxan-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(4R)-2-propyloxan-4-yl]acetate
PubChem CID90143925
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Nameethyl 2-[(4R)-2-propyloxan-4-yl]acetate
SMILESCCCC1C[C@H](CC(=O)OCC)CCO1
InChIInChI=1S/C12H22O3/c1-3-5-11-8-10(6-7-15-11)9-12(13)14-4-2/h10-11H,3-9H2,1-2H3/t10-,11?/m1/s1
InChIKeyBSRAATRVJZDGNL-NFJWQWPMSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4R)-2-propyloxan-4-yl]acetate?
The IUPAC name of ethyl 2-[(4R)-2-propyloxan-4-yl]acetate (CID 90143925) is ethyl 2-[(4R)-2-propyloxan-4-yl]acetate.
What is the SMILES notation for ethyl 2-[(4R)-2-propyloxan-4-yl]acetate?
The canonical SMILES for ethyl 2-[(4R)-2-propyloxan-4-yl]acetate is CCCC1C[C@H](CC(=O)OCC)CCO1.
What is the InChIKey of ethyl 2-[(4R)-2-propyloxan-4-yl]acetate?
The InChIKey is BSRAATRVJZDGNL-NFJWQWPMSA-N. The full InChI is InChI=1S/C12H22O3/c1-3-5-11-8-10(6-7-15-11)9-12(13)14-4-2/h10-11H,3-9H2,1-2H3/t10-,11?/m1/s1.
What are the key properties of ethyl 2-[(4R)-2-propyloxan-4-yl]acetate?
ethyl 2-[(4R)-2-propyloxan-4-yl]acetate has a molecular weight of 214.30 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4R)-2-propyloxan-4-yl]acetate is sourced from PubChem (CID 90143925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).