ethyl 2-[(2R,3S,4R)-3,4-dimethyloxan-2-yl]acetate

C11H20O3 — CID 15318375

IUPACethyl 2-[(2R,3S,4R)-3,4-dimethyloxan-2-yl]acetate
SMILESCCOC(=O)C[C@H]1OCC[C@@H](C)[C@@H]1C
InChIInChI=1S/C11H20O3/c1-4-13-11(12)7-10-9(3)8(2)5-6-14-10/h8-10H,4-7H2,1-3H3/t8-,9+,10-/m1/s1
InChIKeyRZBQCRURPZNBIA-KXUCPTDWSA-N
MW200.28 g/mol
LogP2.00
Rot. Bonds3

About ethyl 2-[(2R,3S,4R)-3,4-dimethyloxan-2-yl]acetate

ethyl 2-[(2R,3S,4R)-3,4-dimethyloxan-2-yl]acetate (PubChem CID 15318375) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl 2-[(2R,3S,4R)-3,4-dimethyloxan-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R,3S,4R)-3,4-dimethyloxan-2-yl]acetate
PubChem CID15318375
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nameethyl 2-[(2R,3S,4R)-3,4-dimethyloxan-2-yl]acetate
SMILESCCOC(=O)C[C@H]1OCC[C@@H](C)[C@@H]1C
InChIInChI=1S/C11H20O3/c1-4-13-11(12)7-10-9(3)8(2)5-6-14-10/h8-10H,4-7H2,1-3H3/t8-,9+,10-/m1/s1
InChIKeyRZBQCRURPZNBIA-KXUCPTDWSA-N
XLogP2.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R,3S,4R)-3,4-dimethyloxan-2-yl]acetate?
The IUPAC name of ethyl 2-[(2R,3S,4R)-3,4-dimethyloxan-2-yl]acetate (CID 15318375) is ethyl 2-[(2R,3S,4R)-3,4-dimethyloxan-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R,3S,4R)-3,4-dimethyloxan-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2R,3S,4R)-3,4-dimethyloxan-2-yl]acetate is CCOC(=O)C[C@H]1OCC[C@@H](C)[C@@H]1C.
What is the InChIKey of ethyl 2-[(2R,3S,4R)-3,4-dimethyloxan-2-yl]acetate?
The InChIKey is RZBQCRURPZNBIA-KXUCPTDWSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-13-11(12)7-10-9(3)8(2)5-6-14-10/h8-10H,4-7H2,1-3H3/t8-,9+,10-/m1/s1.
What are the key properties of ethyl 2-[(2R,3S,4R)-3,4-dimethyloxan-2-yl]acetate?
ethyl 2-[(2R,3S,4R)-3,4-dimethyloxan-2-yl]acetate has a molecular weight of 200.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R,3S,4R)-3,4-dimethyloxan-2-yl]acetate is sourced from PubChem (CID 15318375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).