ethyl 2-[(2R,6S)-6-tert-butyloxan-2-yl]oxypropanoate

C14H26O4 — CID 15827852

IUPACethyl 2-[(2R,6S)-6-tert-butyloxan-2-yl]oxypropanoate
SMILESCCOC(=O)C(C)O[C@@H]1CCC[C@@H](C(C)(C)C)O1
InChIInChI=1S/C14H26O4/c1-6-16-13(15)10(2)17-12-9-7-8-11(18-12)14(3,4)5/h10-12H,6-9H2,1-5H3/t10?,11-,12-/m0/s1
InChIKeyQBAWNFSOPPYEHO-RAMGSTBQSA-N
MW258.36 g/mol
LogP2.90
Rot. Bonds4

About ethyl 2-[(2R,6S)-6-tert-butyloxan-2-yl]oxypropanoate

ethyl 2-[(2R,6S)-6-tert-butyloxan-2-yl]oxypropanoate (PubChem CID 15827852) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is ethyl 2-[(2R,6S)-6-tert-butyloxan-2-yl]oxypropanoate.

Molecular Properties

Compound Nameethyl 2-[(2R,6S)-6-tert-butyloxan-2-yl]oxypropanoate
PubChem CID15827852
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Nameethyl 2-[(2R,6S)-6-tert-butyloxan-2-yl]oxypropanoate
SMILESCCOC(=O)C(C)O[C@@H]1CCC[C@@H](C(C)(C)C)O1
InChIInChI=1S/C14H26O4/c1-6-16-13(15)10(2)17-12-9-7-8-11(18-12)14(3,4)5/h10-12H,6-9H2,1-5H3/t10?,11-,12-/m0/s1
InChIKeyQBAWNFSOPPYEHO-RAMGSTBQSA-N
XLogP2.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(2R,6S)-6-tert-butyloxan-2-yl]oxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (4S)-4-[(2R,6R)-6-tert-butyloxan-2-yl]oxypentanoate
CID 11054818
ethyl 2-(2-aminocyclohexyl)oxypropanoate
CID 106940844
diethyl 2-[(1R)-1-[(6S)-6-methyloxan-2-yl]oxyheptyl]propanedioate
CID 134999994
ethyl 3-[6-(acetyloxymethyl)oxan-2-yl]oxybutanoate
CID 135130509
ethyl 3,3,3-trifluoro-2-(oxan-2-yloxy)propanoate
CID 22913388
ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate
CID 11218228
ethyl 5-(oxan-2-yloxy)-3-oxohexanoate
CID 14279639
ethyl 2-cyclopentylpropanoate
CID 10654733
cyclopentyl 2-ethoxypropanoate
CID 173270406
ethyl 4-cyclobutyloxy-2-methyl-2-(methylamino)pentanoate
CID 64721136
ethyl (3R)-2-(benzenesulfonyl)-4-methyl-3-[(2R,6S)-6-methyloxan-2-yl]oxypentanoate
CID 134970832
ethyl (2R)-2-amino-2-[(3S)-oxan-3-yl]acetate
CID 96668917

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R,6S)-6-tert-butyloxan-2-yl]oxypropanoate?
The IUPAC name of ethyl 2-[(2R,6S)-6-tert-butyloxan-2-yl]oxypropanoate (CID 15827852) is ethyl 2-[(2R,6S)-6-tert-butyloxan-2-yl]oxypropanoate.
What is the SMILES notation for ethyl 2-[(2R,6S)-6-tert-butyloxan-2-yl]oxypropanoate?
The canonical SMILES for ethyl 2-[(2R,6S)-6-tert-butyloxan-2-yl]oxypropanoate is CCOC(=O)C(C)O[C@@H]1CCC[C@@H](C(C)(C)C)O1.
What is the InChIKey of ethyl 2-[(2R,6S)-6-tert-butyloxan-2-yl]oxypropanoate?
The InChIKey is QBAWNFSOPPYEHO-RAMGSTBQSA-N. The full InChI is InChI=1S/C14H26O4/c1-6-16-13(15)10(2)17-12-9-7-8-11(18-12)14(3,4)5/h10-12H,6-9H2,1-5H3/t10?,11-,12-/m0/s1.
What are the key properties of ethyl 2-[(2R,6S)-6-tert-butyloxan-2-yl]oxypropanoate?
ethyl 2-[(2R,6S)-6-tert-butyloxan-2-yl]oxypropanoate has a molecular weight of 258.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R,6S)-6-tert-butyloxan-2-yl]oxypropanoate is sourced from PubChem (CID 15827852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).