lithium (4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-olate

C13H27LiO2Si — CID 135083614

IUPAClithium (4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-olate
SMILESC=C(C)C([O-])[C@@H](C)CO[Si](C)(C)C(C)(C)C.[Li+]
InChIInChI=1S/C13H27O2Si.Li/c1-10(2)12(14)11(3)9-15-16(7,8)13(4,5)6;/h11-12H,1,9H2,2-8H3;/q-1;+1/t11-,12?;/m0./s1
InChIKeyJOUQVJMHPLFOKP-YLIVSKOQSA-N
MW250.38 g/mol
LogP-0.05
Rot. Bonds5

About lithium (4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-olate

lithium (4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-olate (PubChem CID 135083614) has the molecular formula C13H27LiO2Si and a molecular weight of 250.38 g/mol. Its IUPAC name is lithium (4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-olate.

Molecular Properties

Compound Namelithium (4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-olate
PubChem CID135083614
Molecular FormulaC13H27LiO2Si
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Namelithium (4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-olate
SMILESC=C(C)C([O-])[C@@H](C)CO[Si](C)(C)C(C)(C)C.[Li+]
InChIInChI=1S/C13H27O2Si.Li/c1-10(2)12(14)11(3)9-15-16(7,8)13(4,5)6;/h11-12H,1,9H2,2-8H3;/q-1;+1/t11-,12?;/m0./s1
InChIKeyJOUQVJMHPLFOKP-YLIVSKOQSA-N
XLogP-0.05
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-2,4-dimethylpent-4-enoxy]-dimethylsilane
CID 44155585
(4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-ol
CID 60144990
triethyl-[(3S)-5-methyl-2-trimethylsilyloxyhex-1-en-3-yl]oxysilane
CID 134846128
tert-butyl-[(2R,3R)-3,5-dimethylhex-5-en-2-yl]oxy-dimethylsilane
CID 134967066
Lithium 5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-olate
CID 135079325
tert-butyl-[(2R)-2,4-dimethylpent-4-enoxy]-dimethylsilane
CID 9991390
Trimethyl-(4-methyl-3-methylidenepentan-2-yl)oxysilane
CID 20775508
Tert-butyl-(2,4-dimethylpent-4-enoxy)-dimethylsilane
CID 72760788
(3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexa-1,5-dien-3-ol
CID 88024820
(2S,3R)-2,4-dimethyl-3-triethylsilyloxypent-4-en-1-ol
CID 10729017
tert-butyl-[(2S)-2,4-dimethylpent-4-enoxy]-dimethylsilane
CID 11229935
(3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-ol
CID 11322523

Frequently Asked Questions

What is the IUPAC name of lithium (4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-olate?
The IUPAC name of lithium (4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-olate (CID 135083614) is lithium (4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-olate.
What is the SMILES notation for lithium (4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-olate?
The canonical SMILES for lithium (4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-olate is C=C(C)C([O-])[C@@H](C)CO[Si](C)(C)C(C)(C)C.[Li+].
What is the InChIKey of lithium (4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-olate?
The InChIKey is JOUQVJMHPLFOKP-YLIVSKOQSA-N. The full InChI is InChI=1S/C13H27O2Si.Li/c1-10(2)12(14)11(3)9-15-16(7,8)13(4,5)6;/h11-12H,1,9H2,2-8H3;/q-1;+1/t11-,12?;/m0./s1.
What are the key properties of lithium (4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-olate?
lithium (4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-olate has a molecular weight of 250.38 g/mol, XLogP of -0.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-olate is sourced from PubChem (CID 135083614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).