lithium 3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl-tri(propan-2-yloxy)boranuide

C18H38BLiO4Si — CID 23663481

IUPAClithium 3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl-tri(propan-2-yloxy)boranuide
SMILESCC(C)O[B-](C#CCO[Si](C)(C)C(C)(C)C)(OC(C)C)OC(C)C.[Li+]
InChIInChI=1S/C18H38BO4Si.Li/c1-15(2)21-19(22-16(3)4,23-17(5)6)13-12-14-20-24(10,11)18(7,8)9;/h15-17H,14H2,1-11H3;/q-1;+1
InChIKeyXUAHLABRSOBJDE-UHFFFAOYSA-N
MW364.34 g/mol
LogP1.77
Rot. Bonds8

About lithium 3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl-tri(propan-2-yloxy)boranuide

lithium 3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl-tri(propan-2-yloxy)boranuide (PubChem CID 23663481) has the molecular formula C18H38BLiO4Si and a molecular weight of 364.34 g/mol. Its IUPAC name is lithium 3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl-tri(propan-2-yloxy)boranuide.

Molecular Properties

Compound Namelithium 3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl-tri(propan-2-yloxy)boranuide
PubChem CID23663481
Molecular FormulaC18H38BLiO4Si
Molecular Weight364.34 g/mol
Exact Mass364.28
IUPAC Namelithium 3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl-tri(propan-2-yloxy)boranuide
SMILESCC(C)O[B-](C#CCO[Si](C)(C)C(C)(C)C)(OC(C)C)OC(C)C.[Li+]
InChIInChI=1S/C18H38BO4Si.Li/c1-15(2)21-19(22-16(3)4,23-17(5)6)13-12-14-20-24(10,11)18(7,8)9;/h15-17H,14H2,1-11H3;/q-1;+1
InChIKeyXUAHLABRSOBJDE-UHFFFAOYSA-N
XLogP1.77
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[tert-butyl(dimethyl)silyl]oxypent-3-yn-2-ol
CID 59595119
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116
tert-butyl-(5-chloropent-2-ynoxy)-dimethylsilane
CID 57266578
tert-butyl-[4-(chloromethoxy)but-2-ynoxy]-dimethylsilane
CID 14320967
tert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-2,6-diynoxy]silane
CID 14377973
[5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-yl] methanesulfonate
CID 11187078
tert-butyl-[(E)-4-(1-methoxyethyl)hept-4-en-2,6-diynoxy]-dimethylsilane
CID 24773156
(3S,5S)-10-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yne-3,5-diol
CID 11472058
tert-butyl-dimethyl-(2-methylbut-3-ynoxy)silane
CID 10584128
[(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane
CID 10902026
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
tert-butyl-[(2S)-2-fluoropropoxy]-dimethylsilane
CID 141238974

Frequently Asked Questions

What is the IUPAC name of lithium 3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl-tri(propan-2-yloxy)boranuide?
The IUPAC name of lithium 3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl-tri(propan-2-yloxy)boranuide (CID 23663481) is lithium 3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl-tri(propan-2-yloxy)boranuide.
What is the SMILES notation for lithium 3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl-tri(propan-2-yloxy)boranuide?
The canonical SMILES for lithium 3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl-tri(propan-2-yloxy)boranuide is CC(C)O[B-](C#CCO[Si](C)(C)C(C)(C)C)(OC(C)C)OC(C)C.[Li+].
What is the InChIKey of lithium 3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl-tri(propan-2-yloxy)boranuide?
The InChIKey is XUAHLABRSOBJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38BO4Si.Li/c1-15(2)21-19(22-16(3)4,23-17(5)6)13-12-14-20-24(10,11)18(7,8)9;/h15-17H,14H2,1-11H3;/q-1;+1.
What are the key properties of lithium 3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl-tri(propan-2-yloxy)boranuide?
lithium 3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl-tri(propan-2-yloxy)boranuide has a molecular weight of 364.34 g/mol, XLogP of 1.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl-tri(propan-2-yloxy)boranuide is sourced from PubChem (CID 23663481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).