[(2S)-3-[(2S,5R,6S)-6-hydroxy-5-methyloxan-2-yl]-2-methoxypropyl] 2,2-dimethylpropanoate

C15H28O5 — CID 10850905

IUPAC[(2S)-3-[(2S,5R,6S)-6-hydroxy-5-methyloxan-2-yl]-2-methoxypropyl] 2,2-dimethylpropanoate
SMILESCO[C@H](COC(=O)C(C)(C)C)C[C@@H]1CC[C@@H](C)[C@@H](O)O1
InChIInChI=1S/C15H28O5/c1-10-6-7-11(20-13(10)16)8-12(18-5)9-19-14(17)15(2,3)4/h10-13,16H,6-9H2,1-5H3/t10-,11+,12+,13+/m1/s1
InChIKeyRWGLYJKXSOXSSW-VOAKCMCISA-N
MW288.38 g/mol
LogP2.11
Rot. Bonds5

About [(2S)-3-[(2S,5R,6S)-6-hydroxy-5-methyloxan-2-yl]-2-methoxypropyl] 2,2-dimethylpropanoate

[(2S)-3-[(2S,5R,6S)-6-hydroxy-5-methyloxan-2-yl]-2-methoxypropyl] 2,2-dimethylpropanoate (PubChem CID 10850905) has the molecular formula C15H28O5 and a molecular weight of 288.38 g/mol. Its IUPAC name is [(2S)-3-[(2S,5R,6S)-6-hydroxy-5-methyloxan-2-yl]-2-methoxypropyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2S)-3-[(2S,5R,6S)-6-hydroxy-5-methyloxan-2-yl]-2-methoxypropyl] 2,2-dimethylpropanoate
PubChem CID10850905
Molecular FormulaC15H28O5
Molecular Weight288.38 g/mol
Exact Mass288.19
IUPAC Name[(2S)-3-[(2S,5R,6S)-6-hydroxy-5-methyloxan-2-yl]-2-methoxypropyl] 2,2-dimethylpropanoate
SMILESCO[C@H](COC(=O)C(C)(C)C)C[C@@H]1CC[C@@H](C)[C@@H](O)O1
InChIInChI=1S/C15H28O5/c1-10-6-7-11(20-13(10)16)8-12(18-5)9-19-14(17)15(2,3)4/h10-13,16H,6-9H2,1-5H3/t10-,11+,12+,13+/m1/s1
InChIKeyRWGLYJKXSOXSSW-VOAKCMCISA-N
XLogP2.11
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-3-[(2S,5R,6S)-6-hydroxy-5-methyloxan-2-yl]-2-methoxypropyl] 2,2-dimethylpropanoate with MolForge

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Related Compounds

[3-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 2,2-dimethylpropanoate
CID 59464527
[(2S,4S)-4-fluoro-5-hydroxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 129300054
[(2R)-2-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methoxyoxolan-2-yl]ethyl] 2,2-dimethylpropanoate
CID 100973678
[(2R,3R,4S,6R)-6-[(2S)-2,3-dimethoxypropyl]-3-hydroxy-4-methoxy-5,5-dimethyloxan-2-yl]methyl 2,2-dimethylpropanoate
CID 10523583
(2,3,4,5-tetrahydroxy-6-methoxycyclohexyl)oxymethyl 2,2-dimethylpropanoate
CID 118203169
[(2R,4S,5S)-4-methyl-5-(3-oxopropyl)oxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 101334381
[2-(2,2-dimethylpropanoyloxymethyl)-3,3-dimethylbutyl] 2,2-dimethylpropanoate
CID 169049082
[(2S)-oxiran-2-yl]methyl 2,2-dimethylpropanoate
CID 11768834
[(2R)-3-[(2R,3S,4R,5S,6S)-4-hydroxy-6-methoxy-3,5-dimethyloxan-2-yl]-2-[(4-methoxyphenyl)methoxy]propyl] 2,2-dimethylpropanoate
CID 100978297
[(2R)-2-hydroxy-2-[(2S,3S,4R,5R)-3,4,5-tris(2,2-dimethylpropanoyloxy)oxolan-2-yl]ethyl] 2,2-dimethylpropanoate
CID 69116476
[(2R,3R,4S,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyl-3-triethylsilyloxyoxan-2-yl]methyl 2,2-dimethylpropanoate
CID 11027385
2-amino-3-(5-methyloxolan-2-yl)propanamide
CID 103134581

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-[(2S,5R,6S)-6-hydroxy-5-methyloxan-2-yl]-2-methoxypropyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2S)-3-[(2S,5R,6S)-6-hydroxy-5-methyloxan-2-yl]-2-methoxypropyl] 2,2-dimethylpropanoate (CID 10850905) is [(2S)-3-[(2S,5R,6S)-6-hydroxy-5-methyloxan-2-yl]-2-methoxypropyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2S)-3-[(2S,5R,6S)-6-hydroxy-5-methyloxan-2-yl]-2-methoxypropyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2S)-3-[(2S,5R,6S)-6-hydroxy-5-methyloxan-2-yl]-2-methoxypropyl] 2,2-dimethylpropanoate is CO[C@H](COC(=O)C(C)(C)C)C[C@@H]1CC[C@@H](C)[C@@H](O)O1.
What is the InChIKey of [(2S)-3-[(2S,5R,6S)-6-hydroxy-5-methyloxan-2-yl]-2-methoxypropyl] 2,2-dimethylpropanoate?
The InChIKey is RWGLYJKXSOXSSW-VOAKCMCISA-N. The full InChI is InChI=1S/C15H28O5/c1-10-6-7-11(20-13(10)16)8-12(18-5)9-19-14(17)15(2,3)4/h10-13,16H,6-9H2,1-5H3/t10-,11+,12+,13+/m1/s1.
What are the key properties of [(2S)-3-[(2S,5R,6S)-6-hydroxy-5-methyloxan-2-yl]-2-methoxypropyl] 2,2-dimethylpropanoate?
[(2S)-3-[(2S,5R,6S)-6-hydroxy-5-methyloxan-2-yl]-2-methoxypropyl] 2,2-dimethylpropanoate has a molecular weight of 288.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-[(2S,5R,6S)-6-hydroxy-5-methyloxan-2-yl]-2-methoxypropyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10850905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).