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

C10H18O3 — CID 14334412

IUPACethyl 2-[(2R,4S)-4-methyloxan-2-yl]acetate
SMILESCCOC(=O)C[C@H]1C[C@@H](C)CCO1
InChIInChI=1S/C10H18O3/c1-3-12-10(11)7-9-6-8(2)4-5-13-9/h8-9H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyYWXKXBJSIAPFBU-DTWKUNHWSA-N
MW186.25 g/mol
LogP1.75
Rot. Bonds3

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

ethyl 2-[(2R,4S)-4-methyloxan-2-yl]acetate (PubChem CID 14334412) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl 2-[(2R,4S)-4-methyloxan-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R,4S)-4-methyloxan-2-yl]acetate
PubChem CID14334412
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nameethyl 2-[(2R,4S)-4-methyloxan-2-yl]acetate
SMILESCCOC(=O)C[C@H]1C[C@@H](C)CCO1
InChIInChI=1S/C10H18O3/c1-3-12-10(11)7-9-6-8(2)4-5-13-9/h8-9H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyYWXKXBJSIAPFBU-DTWKUNHWSA-N
XLogP1.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R,4S)-4-methyloxan-2-yl]acetate?
The IUPAC name of ethyl 2-[(2R,4S)-4-methyloxan-2-yl]acetate (CID 14334412) is ethyl 2-[(2R,4S)-4-methyloxan-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R,4S)-4-methyloxan-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2R,4S)-4-methyloxan-2-yl]acetate is CCOC(=O)C[C@H]1C[C@@H](C)CCO1.
What is the InChIKey of ethyl 2-[(2R,4S)-4-methyloxan-2-yl]acetate?
The InChIKey is YWXKXBJSIAPFBU-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-12-10(11)7-9-6-8(2)4-5-13-9/h8-9H,3-7H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of ethyl 2-[(2R,4S)-4-methyloxan-2-yl]acetate?
ethyl 2-[(2R,4S)-4-methyloxan-2-yl]acetate has a molecular weight of 186.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R,4S)-4-methyloxan-2-yl]acetate is sourced from PubChem (CID 14334412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).