tert-butyl-[[(2S,5R)-5-(methoxymethoxymethyl)-5-undecyloxolan-2-yl]methoxy]-dimethylsilane

C25H52O4Si — CID 135030067

IUPACtert-butyl-[[(2S,5R)-5-(methoxymethoxymethyl)-5-undecyloxolan-2-yl]methoxy]-dimethylsilane
SMILESCCCCCCCCCCC[C@]1(COCOC)CC[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C25H52O4Si/c1-8-9-10-11-12-13-14-15-16-18-25(21-27-22-26-5)19-17-23(29-25)20-28-30(6,7)24(2,3)4/h23H,8-22H2,1-7H3/t23-,25+/m0/s1
InChIKeyMLLJWTCDMYEJIN-UKILVPOCSA-N
MW444.77 g/mol
LogP7.47
Rot. Bonds17

About tert-butyl-[[(2S,5R)-5-(methoxymethoxymethyl)-5-undecyloxolan-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(2S,5R)-5-(methoxymethoxymethyl)-5-undecyloxolan-2-yl]methoxy]-dimethylsilane (PubChem CID 135030067) has the molecular formula C25H52O4Si and a molecular weight of 444.77 g/mol. Its IUPAC name is tert-butyl-[[(2S,5R)-5-(methoxymethoxymethyl)-5-undecyloxolan-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,5R)-5-(methoxymethoxymethyl)-5-undecyloxolan-2-yl]methoxy]-dimethylsilane
PubChem CID135030067
Molecular FormulaC25H52O4Si
Molecular Weight444.77 g/mol
Exact Mass444.36
IUPAC Nametert-butyl-[[(2S,5R)-5-(methoxymethoxymethyl)-5-undecyloxolan-2-yl]methoxy]-dimethylsilane
SMILESCCCCCCCCCCC[C@]1(COCOC)CC[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C25H52O4Si/c1-8-9-10-11-12-13-14-15-16-18-25(21-27-22-26-5)19-17-23(29-25)20-28-30(6,7)24(2,3)4/h23H,8-22H2,1-7H3/t23-,25+/m0/s1
InChIKeyMLLJWTCDMYEJIN-UKILVPOCSA-N
XLogP7.47
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.77
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]propane-1,2-diol
CID 11450963
tert-butyl-[(2R)-2-[(4R,5S,6S)-6-[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane
CID 52920732
Hydroxy-dimethyl-[3-methyl-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxiran-2-yl]silane
CID 134890085
tert-butyl-[2-[(3S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3-methyloxolan-2-yl]ethoxy]-dimethylsilane
CID 134954932
tert-butyl-[(1S,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hexoxy]-dimethylsilane
CID 135023555
tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4,8-dimethylnonyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 14609964
Tert-butyl-dimethyl-[1-(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)ethoxy]silane
CID 58388170
tert-butyl-[(3S)-3-[(4S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]butoxy]-dimethylsilane
CID 58962248
hydroxy-dimethyl-[2-methyl-4-[(2R,3R,4S,5S,6S)-3,4,5-tributoxy-6-(methoxymethoxymethyl)oxan-2-yl]butan-2-yl]silane
CID 89353243
Ethoxy-[5-methoxy-2-[2-(oxolan-2-yl)oxolan-2-yl]oxolan-2-yl]-dimethylsilane
CID 141663802
Methoxy-[5-methoxy-2-[2-(oxolan-2-yl)oxolan-2-yl]oxolan-2-yl]-dimethylsilane
CID 141663803
4-[(1R)-1-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2,6-dimethylheptan-4-ol
CID 159714621

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,5R)-5-(methoxymethoxymethyl)-5-undecyloxolan-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2S,5R)-5-(methoxymethoxymethyl)-5-undecyloxolan-2-yl]methoxy]-dimethylsilane (CID 135030067) is tert-butyl-[[(2S,5R)-5-(methoxymethoxymethyl)-5-undecyloxolan-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2S,5R)-5-(methoxymethoxymethyl)-5-undecyloxolan-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2S,5R)-5-(methoxymethoxymethyl)-5-undecyloxolan-2-yl]methoxy]-dimethylsilane is CCCCCCCCCCC[C@]1(COCOC)CC[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[[(2S,5R)-5-(methoxymethoxymethyl)-5-undecyloxolan-2-yl]methoxy]-dimethylsilane?
The InChIKey is MLLJWTCDMYEJIN-UKILVPOCSA-N. The full InChI is InChI=1S/C25H52O4Si/c1-8-9-10-11-12-13-14-15-16-18-25(21-27-22-26-5)19-17-23(29-25)20-28-30(6,7)24(2,3)4/h23H,8-22H2,1-7H3/t23-,25+/m0/s1.
What are the key properties of tert-butyl-[[(2S,5R)-5-(methoxymethoxymethyl)-5-undecyloxolan-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2S,5R)-5-(methoxymethoxymethyl)-5-undecyloxolan-2-yl]methoxy]-dimethylsilane has a molecular weight of 444.77 g/mol, XLogP of 7.47, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,5R)-5-(methoxymethoxymethyl)-5-undecyloxolan-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 135030067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).