tert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxan-3-yl]oxy-dimethylsilane

C18H36O4Si — CID 10246933

IUPACtert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxan-3-yl]oxy-dimethylsilane
SMILESCC1(C)OCC(CC[C@H]2OCCC[C@@H]2O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C18H36O4Si/c1-17(2,3)23(6,7)22-16-9-8-12-19-15(16)11-10-14-13-20-18(4,5)21-14/h14-16H,8-13H2,1-7H3/t14?,15-,16+/m1/s1
InChIKeyWVRQPVLAMLKYNY-JAIYHHTPSA-N
MW344.57 g/mol
LogP4.49
Rot. Bonds5

About tert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxan-3-yl]oxy-dimethylsilane

tert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxan-3-yl]oxy-dimethylsilane (PubChem CID 10246933) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is tert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxan-3-yl]oxy-dimethylsilane
PubChem CID10246933
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Nametert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxan-3-yl]oxy-dimethylsilane
SMILESCC1(C)OCC(CC[C@H]2OCCC[C@@H]2O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C18H36O4Si/c1-17(2,3)23(6,7)22-16-9-8-12-19-15(16)11-10-14-13-20-18(4,5)21-14/h14-16H,8-13H2,1-7H3/t14?,15-,16+/m1/s1
InChIKeyWVRQPVLAMLKYNY-JAIYHHTPSA-N
XLogP4.49
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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
[(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
1-[(3aS,4S,7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxyspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-4-yl]propan-2-ol
CID 134930956
tert-butyl-[4-[(2R,6S)-1,7-dioxaspiro[5.5]undecan-2-yl]butoxy]-dimethylsilane
CID 134937000
[(1R)-1-[(4R)-5-methoxy-2,2-dimethyl-1,3-dioxan-4-yl]butoxy]-tri(propan-2-yl)silane
CID 134974171
[(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-[(1S,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hexoxy]-dimethylsilane
CID 135023555
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
tert-butyl-dimethyl-[[(2S)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane
CID 135055285
[(4R,5S)-5-[(2R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)tridecyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 138967740

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxan-3-yl]oxy-dimethylsilane (CID 10246933) is tert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxan-3-yl]oxy-dimethylsilane is CC1(C)OCC(CC[C@H]2OCCC[C@@H]2O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxan-3-yl]oxy-dimethylsilane?
The InChIKey is WVRQPVLAMLKYNY-JAIYHHTPSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-17(2,3)23(6,7)22-16-9-8-12-19-15(16)11-10-14-13-20-18(4,5)21-14/h14-16H,8-13H2,1-7H3/t14?,15-,16+/m1/s1.
What are the key properties of tert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxan-3-yl]oxy-dimethylsilane has a molecular weight of 344.57 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 10246933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).