lithium tert-butyl-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-dimethylsilane

C19H43LiO2Si2 — CID 154722514

IUPAClithium tert-butyl-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-dimethylsilane
SMILESC[CH-]C[C@@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.[Li+]
InChIInChI=1S/C19H43O2Si2.Li/c1-13-14-17(21-23(11,12)19(6,7)8)15-16(2)20-22(9,10)18(3,4)5;/h13,16-17H,14-15H2,1-12H3;/q-1;+1/t16-,17+;/m1./s1
InChIKeyUVVOXKDNDCUVNP-PPPUBMIESA-N
MW366.66 g/mol
LogP3.80
Rot. Bonds8

About lithium tert-butyl-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-dimethylsilane

lithium tert-butyl-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-dimethylsilane (PubChem CID 154722514) has the molecular formula C19H43LiO2Si2 and a molecular weight of 366.66 g/mol. Its IUPAC name is lithium tert-butyl-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Namelithium tert-butyl-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-dimethylsilane
PubChem CID154722514
Molecular FormulaC19H43LiO2Si2
Molecular Weight366.66 g/mol
Exact Mass366.30
IUPAC Namelithium tert-butyl-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-dimethylsilane
SMILESC[CH-]C[C@@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.[Li+]
InChIInChI=1S/C19H43O2Si2.Li/c1-13-14-17(21-23(11,12)19(6,7)8)15-16(2)20-22(9,10)18(3,4)5;/h13,16-17H,14-15H2,1-12H3;/q-1;+1/t16-,17+;/m1./s1
InChIKeyUVVOXKDNDCUVNP-PPPUBMIESA-N
XLogP3.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.66
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Silane, dimethyldi(2-heptyloxy)-
CID 85694061
tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodoheptan-2-yl]oxy-dimethylsilane
CID 154722299
1,7-heptanediol, tBDMS
CID 6427123
Silane, dimethyl(dimethyl(2-hexyloxy)silyloxy)hexyloxy-
CID 54770327
1,3-bis[(1-Ethylpentyl)oxy]-1,1,3,3-tetramethyldisiloxane
CID 91720804
Silane, dimethyl(dimethyl(2-decyloxy)silyloxy)isobutoxy-
CID 91733535
Silane, methylvinyl(hept-2-yloxy)(methylvinylpropoxysilyloxy)-
CID 91735017
Silane, methylvinyl(hept-2-yloxy)(methylvinylbutoxysilyloxy)-
CID 91736540
Silane, diethylbutoxy(2-heptyloxy)-
CID 91738233
Silane, dimethyl(dimethyl(2-heptyloxy)silyloxy)(2-heptyloxy)-
CID 91738349
Silane, methylvinyl(hept-2-yloxy)(methylvinylhexyloxysilyloxy)-
CID 91739083
Silane, diethylhexyloxy(3-hexyloxy)-
CID 91739192

Frequently Asked Questions

What is the IUPAC name of lithium tert-butyl-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-dimethylsilane?
The IUPAC name of lithium tert-butyl-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-dimethylsilane (CID 154722514) is lithium tert-butyl-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for lithium tert-butyl-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-dimethylsilane?
The canonical SMILES for lithium tert-butyl-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-dimethylsilane is C[CH-]C[C@@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.[Li+].
What is the InChIKey of lithium tert-butyl-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-dimethylsilane?
The InChIKey is UVVOXKDNDCUVNP-PPPUBMIESA-N. The full InChI is InChI=1S/C19H43O2Si2.Li/c1-13-14-17(21-23(11,12)19(6,7)8)15-16(2)20-22(9,10)18(3,4)5;/h13,16-17H,14-15H2,1-12H3;/q-1;+1/t16-,17+;/m1./s1.
What are the key properties of lithium tert-butyl-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-dimethylsilane?
lithium tert-butyl-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-dimethylsilane has a molecular weight of 366.66 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tert-butyl-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 154722514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).