lithium tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]-dimethylsilane

C18H37LiO3Si2 — CID 11079036

IUPAClithium tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]-dimethylsilane
SMILESC[C@@H]1O[C-]=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.[Li+]
InChIInChI=1S/C18H37O3Si2.Li/c1-14-16(21-23(10,11)18(5,6)7)15(12-13-19-14)20-22(8,9)17(2,3)4;/h12,14-16H,1-11H3;/q-1;+1/t14-,15-,16-;/m0./s1
InChIKeyYTCGZYFRMDEEMN-NLQWVURJSA-N
MW364.60 g/mol
LogP2.51
Rot. Bonds4

About lithium tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]-dimethylsilane

lithium tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]-dimethylsilane (PubChem CID 11079036) has the molecular formula C18H37LiO3Si2 and a molecular weight of 364.60 g/mol. Its IUPAC name is lithium tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Namelithium tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]-dimethylsilane
PubChem CID11079036
Molecular FormulaC18H37LiO3Si2
Molecular Weight364.60 g/mol
Exact Mass364.24
IUPAC Namelithium tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]-dimethylsilane
SMILESC[C@@H]1O[C-]=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.[Li+]
InChIInChI=1S/C18H37O3Si2.Li/c1-14-16(21-23(10,11)18(5,6)7)15(12-13-19-14)20-22(8,9)17(2,3)4;/h12,14-16H,1-11H3;/q-1;+1/t14-,15-,16-;/m0./s1
InChIKeyYTCGZYFRMDEEMN-NLQWVURJSA-N
XLogP2.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.60
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1,4-Anhydro-2-deoxy-3,5-bis-O-(t-butyldimethylsilyl)-D-erythro-pent-1-enitol
CID 11824133
Tri-O-(tert-butyldimethylsilyl)-D-glucal
CID 10648718
1,5-Anhydro-2-deoxy-3,4,6-tris-O-(triisopropylsilyl)-D-arabino-hex-1-enitol
CID 11181065
tri(propan-2-yl)-[[(2R,3R,4R)-6-tributylstannyl-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]silane
CID 10909148
triethyl-[[(2R,3R,4R)-3-triethylsilyloxy-2-(triethylsilyloxymethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]silane
CID 10863880
tert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
CID 11164225
tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
CID 11169717
tri(propan-2-yl)-[[(2R,3S)-3-tri(propan-2-yl)silyloxy-2,3-dihydrofuran-2-yl]methoxy]silane
CID 13915415
3,4,6-tri-O-(t-butyldimethylsilyl)-1-(tributylstannyl)-d-glucal
CID 14559079
[(4aR,8R,8aR)-2,2-ditert-butyl-6-[hydroxy(dimethyl)silyl]-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-triethylsilane
CID 16071211
tert-butyl-[[(3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
CID 21607910
[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane
CID 101106917

Frequently Asked Questions

What is the IUPAC name of lithium tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]-dimethylsilane?
The IUPAC name of lithium tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]-dimethylsilane (CID 11079036) is lithium tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]-dimethylsilane.
What is the SMILES notation for lithium tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]-dimethylsilane?
The canonical SMILES for lithium tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]-dimethylsilane is C[C@@H]1O[C-]=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.[Li+].
What is the InChIKey of lithium tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]-dimethylsilane?
The InChIKey is YTCGZYFRMDEEMN-NLQWVURJSA-N. The full InChI is InChI=1S/C18H37O3Si2.Li/c1-14-16(21-23(10,11)18(5,6)7)15(12-13-19-14)20-22(8,9)17(2,3)4;/h12,14-16H,1-11H3;/q-1;+1/t14-,15-,16-;/m0./s1.
What are the key properties of lithium tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]-dimethylsilane?
lithium tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]-dimethylsilane has a molecular weight of 364.60 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]-dimethylsilane is sourced from PubChem (CID 11079036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).