(2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]propane-1,2-diol

C16H34O6Si — CID 11450963

IUPAC(2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]propane-1,2-diol
SMILESC[C@@](O)(CO)[C@@H]1CC[C@@H]([C@](C)(O)COCOCC[Si](C)(C)C)O1
InChIInChI=1S/C16H34O6Si/c1-15(18,10-17)13-6-7-14(22-13)16(2,19)11-21-12-20-8-9-23(3,4)5/h13-14,17-19H,6-12H2,1-5H3/t13-,14-,15+,16+/m0/s1
InChIKeyNSQHMAPTOWLDMQ-CAOSSQGBSA-N
MW350.53 g/mol
LogP1.36
Rot. Bonds10

About (2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]propane-1,2-diol

(2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]propane-1,2-diol (PubChem CID 11450963) has the molecular formula C16H34O6Si and a molecular weight of 350.53 g/mol. Its IUPAC name is (2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]propane-1,2-diol
PubChem CID11450963
Molecular FormulaC16H34O6Si
Molecular Weight350.53 g/mol
Exact Mass350.21
IUPAC Name(2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]propane-1,2-diol
SMILESC[C@@](O)(CO)[C@@H]1CC[C@@H]([C@](C)(O)COCOCC[Si](C)(C)C)O1
InChIInChI=1S/C16H34O6Si/c1-15(18,10-17)13-6-7-14(22-13)16(2,19)11-21-12-20-8-9-23(3,4)5/h13-14,17-19H,6-12H2,1-5H3/t13-,14-,15+,16+/m0/s1
InChIKeyNSQHMAPTOWLDMQ-CAOSSQGBSA-N
XLogP1.36
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(1S,5S)-5-(2-trimethylsilylethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol
CID 20593572
1-cyclohexyl-2-(2-trimethylsilylethoxymethoxy)ethanone
CID 11471281
ethoxyethane;trimethyl-[2-(2-trimethylsilylethoxymethoxymethoxy)ethyl]silane
CID 88546409
3-(3-trimethylsilylpropoxy)-2,2-bis(3-trimethylsilylpropoxymethyl)propan-1-ol
CID 158533030
trimethyl-[2-(propan-2-yloxymethoxy)ethyl]silane
CID 140699202
1-methyl-4-(2-trimethylsilylethoxymethoxy)cyclohexane-1-carboxylic acid
CID 86695198
2-[[3-(2-bromoethynyl)oxiran-2-yl]methoxymethoxy]ethyl-trimethylsilane
CID 10924812
trimethyl-[2-[[1-[1-(2-trimethylsilylethoxymethyl)cyclohexyl]oxycyclohexyl]methoxy]ethyl]silane
CID 70179355
N,N-dimethyl-1-(2-trimethylsilylethoxy)methanamine
CID 21339561
[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-2,2-dimethyl-5-(2-trimethylsilylethoxymethoxymethyl)-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 134864606
2-[3-[4-(2-trimethylsilylethoxymethoxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol
CID 131747589
[(1R)-1,3-diphenylpropyl] 1-[3,3-dimethyl-2-oxo-4-(2-trimethylsilylethoxymethoxy)butanoyl]piperidine-2-carboxylate
CID 67632989

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]propane-1,2-diol?
The IUPAC name of (2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]propane-1,2-diol (CID 11450963) is (2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]propane-1,2-diol.
What is the SMILES notation for (2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]propane-1,2-diol?
The canonical SMILES for (2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]propane-1,2-diol is C[C@@](O)(CO)[C@@H]1CC[C@@H]([C@](C)(O)COCOCC[Si](C)(C)C)O1.
What is the InChIKey of (2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]propane-1,2-diol?
The InChIKey is NSQHMAPTOWLDMQ-CAOSSQGBSA-N. The full InChI is InChI=1S/C16H34O6Si/c1-15(18,10-17)13-6-7-14(22-13)16(2,19)11-21-12-20-8-9-23(3,4)5/h13-14,17-19H,6-12H2,1-5H3/t13-,14-,15+,16+/m0/s1.
What are the key properties of (2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]propane-1,2-diol?
(2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]propane-1,2-diol has a molecular weight of 350.53 g/mol, XLogP of 1.36, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]propane-1,2-diol is sourced from PubChem (CID 11450963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).