lithium (Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-olate

C16H31LiO2Si — CID 134846364

IUPAClithium (Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-olate
SMILESC/C=C(\[O-])[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1.[Li+]
InChIInChI=1S/C16H32O2Si.Li/c1-7-14(17)15(13-11-9-8-10-12-13)18-19(5,6)16(2,3)4;/h7,13,15,17H,8-12H2,1-6H3;/q;+1/p-1/b14-7-;/t15-;/m0./s1
InChIKeyOUVMZWKNHZLFGI-FBGSUMGISA-M
MW290.45 g/mol
LogP1.23
Rot. Bonds4

About lithium (Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-olate

lithium (Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-olate (PubChem CID 134846364) has the molecular formula C16H31LiO2Si and a molecular weight of 290.45 g/mol. Its IUPAC name is lithium (Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-olate.

Molecular Properties

Compound Namelithium (Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-olate
PubChem CID134846364
Molecular FormulaC16H31LiO2Si
Molecular Weight290.45 g/mol
Exact Mass290.23
IUPAC Namelithium (Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-olate
SMILESC/C=C(\[O-])[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1.[Li+]
InChIInChI=1S/C16H32O2Si.Li/c1-7-14(17)15(13-11-9-8-10-12-13)18-19(5,6)16(2,3)4;/h7,13,15,17H,8-12H2,1-6H3;/q;+1/p-1/b14-7-;/t15-;/m0./s1
InChIKeyOUVMZWKNHZLFGI-FBGSUMGISA-M
XLogP1.23
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(4aS,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,4,4a,5,8-hexahydro-1H-benzo[7]annulen-9-yl]oxy-tert-butyl-dimethylsilane
CID 11090852
trimethyl-[(3R,5R)-5-methyl-3-[(E)-4-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclohexen-1-yl]oxysilane
CID 11774244
tert-butyl-[(Z,1S)-1-cyclohexyl-2-dibutylboranyloxybut-2-enoxy]-dimethylsilane
CID 13228833
tert-butyl-[(Z,1R)-1-cyclohexyl-2-dibutylboranyloxybut-2-enoxy]-dimethylsilane
CID 13228834
(6S)-6-cyclohexyl-2,2-dimethyl-3,6-dihydrooxasiline
CID 101106396
(6S)-6-cyclohexyl-2,2,5-trimethyl-3,6-dihydrooxasiline
CID 101106397
[(E,1S)-1-cyclohexyl-2-ethylpent-2-enoxy]-triethylsilane
CID 102515909
[(E,1S)-1-cyclohexylnon-2-enoxy]-triethylsilane
CID 102515912
(4S,7R)-4-cyclohexyl-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine
CID 134999408
(4S,7S)-4-cyclohexyl-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine
CID 135000864
lithium (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-olate
CID 135050233
1-cyclohexylprop-2-enoxy-[(2E,5E)-hepta-2,5-dien-4-yl]oxy-di(propan-2-yl)silane
CID 135079746

Frequently Asked Questions

What is the IUPAC name of lithium (Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-olate?
The IUPAC name of lithium (Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-olate (CID 134846364) is lithium (Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-olate.
What is the SMILES notation for lithium (Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-olate?
The canonical SMILES for lithium (Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-olate is C/C=C(\[O-])[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1.[Li+].
What is the InChIKey of lithium (Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-olate?
The InChIKey is OUVMZWKNHZLFGI-FBGSUMGISA-M. The full InChI is InChI=1S/C16H32O2Si.Li/c1-7-14(17)15(13-11-9-8-10-12-13)18-19(5,6)16(2,3)4;/h7,13,15,17H,8-12H2,1-6H3;/q;+1/p-1/b14-7-;/t15-;/m0./s1.
What are the key properties of lithium (Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-olate?
lithium (Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-olate has a molecular weight of 290.45 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-olate is sourced from PubChem (CID 134846364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).