tert-butyl-[(1S,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hexoxy]-dimethylsilane

C19H40O5Si — CID 135023555

IUPACtert-butyl-[(1S,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hexoxy]-dimethylsilane
SMILESCCC[C@@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1)OCOC
InChIInChI=1S/C19H40O5Si/c1-10-11-15(21-14-20-7)12-16(17-13-22-19(5,6)23-17)24-25(8,9)18(2,3)4/h15-17H,10-14H2,1-9H3/t15-,16-,17+/m0/s1
InChIKeyIVBSFXUGYGXPHA-YESZJQIVSA-N
MW376.61 g/mol
LogP4.71
Rot. Bonds10

About tert-butyl-[(1S,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hexoxy]-dimethylsilane

tert-butyl-[(1S,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hexoxy]-dimethylsilane (PubChem CID 135023555) has the molecular formula C19H40O5Si and a molecular weight of 376.61 g/mol. Its IUPAC name is tert-butyl-[(1S,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hexoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hexoxy]-dimethylsilane
PubChem CID135023555
Molecular FormulaC19H40O5Si
Molecular Weight376.61 g/mol
Exact Mass376.26
IUPAC Nametert-butyl-[(1S,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hexoxy]-dimethylsilane
SMILESCCC[C@@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1)OCOC
InChIInChI=1S/C19H40O5Si/c1-10-11-15(21-14-20-7)12-16(17-13-22-19(5,6)23-17)24-25(8,9)18(2,3)4/h15-17H,10-14H2,1-9H3/t15-,16-,17+/m0/s1
InChIKeyIVBSFXUGYGXPHA-YESZJQIVSA-N
XLogP4.71
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.61
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-1-[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,6-dioxaspiro[4.4]nonan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-tert-butyl-dimethylsilane
CID 11365927
tert-butyl-[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R,4R)-11-iodo-1,4-bis(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]tridecoxy]-dimethylsilane
CID 11564149
3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol
CID 44515758
[(4aR,5'R,6R,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane
CID 102212917
tert-butyl-[[(1S,2S,4S,6R,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-11,11-dimethyl-5,10,12-trioxatricyclo[7.3.0.04,6]dodecan-2-yl]oxy]-dimethylsilane
CID 102587846
[(4s,5s)-5-[(s)-3-(t-Butyldimethylsilyloxy)butyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 129843188
(4r,6r)-6-(t-Butyldimethylsilyloxy)-1-(1,3-dioxolan-2-yl)heptan-4-ol
CID 132279129
tert-butyl-[(S)-[(4S,5R)-2,2-dimethyl-5-(2-trimethylsilylethoxymethoxymethyl)-1,3-dioxolan-4-yl]-[(4R,5S)-5-(iodomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 134864605
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
[(2R)-7-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]heptan-2-yl]oxy-tert-butyl-dimethylsilane
CID 135014563
tert-butyl-[[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 135020649
tert-butyl-dimethyl-[[(2S,5R)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane
CID 135024962

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hexoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hexoxy]-dimethylsilane (CID 135023555) is tert-butyl-[(1S,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hexoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hexoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hexoxy]-dimethylsilane is CCC[C@@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1)OCOC.
What is the InChIKey of tert-butyl-[(1S,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hexoxy]-dimethylsilane?
The InChIKey is IVBSFXUGYGXPHA-YESZJQIVSA-N. The full InChI is InChI=1S/C19H40O5Si/c1-10-11-15(21-14-20-7)12-16(17-13-22-19(5,6)23-17)24-25(8,9)18(2,3)4/h15-17H,10-14H2,1-9H3/t15-,16-,17+/m0/s1.
What are the key properties of tert-butyl-[(1S,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hexoxy]-dimethylsilane?
tert-butyl-[(1S,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hexoxy]-dimethylsilane has a molecular weight of 376.61 g/mol, XLogP of 4.71, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hexoxy]-dimethylsilane is sourced from PubChem (CID 135023555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).