lithium (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-olate

C17H33LiO2Si — CID 135050233

IUPAClithium (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-olate
SMILESC/C=C(\[O-])[C@@](C)(O[Si](C)(C)C(C)(C)C)C1CCCCC1.[Li+]
InChIInChI=1S/C17H34O2Si.Li/c1-8-15(18)17(5,14-12-10-9-11-13-14)19-20(6,7)16(2,3)4;/h8,14,18H,9-13H2,1-7H3;/q;+1/p-1/b15-8-;/t17-;/m0./s1
InChIKeyLWLGTJNIAXJYBE-SMHMBWIZSA-M
MW304.48 g/mol
LogP1.62
Rot. Bonds4

About lithium (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-olate

lithium (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-olate (PubChem CID 135050233) has the molecular formula C17H33LiO2Si and a molecular weight of 304.48 g/mol. Its IUPAC name is lithium (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-olate.

Molecular Properties

Compound Namelithium (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-olate
PubChem CID135050233
Molecular FormulaC17H33LiO2Si
Molecular Weight304.48 g/mol
Exact Mass304.24
IUPAC Namelithium (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-olate
SMILESC/C=C(\[O-])[C@@](C)(O[Si](C)(C)C(C)(C)C)C1CCCCC1.[Li+]
InChIInChI=1S/C17H34O2Si.Li/c1-8-15(18)17(5,14-12-10-9-11-13-14)19-20(6,7)16(2,3)4;/h8,14,18H,9-13H2,1-7H3;/q;+1/p-1/b15-8-;/t17-;/m0./s1
InChIKeyLWLGTJNIAXJYBE-SMHMBWIZSA-M
XLogP1.62
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 51.62
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

lithium (Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-olate
CID 134846364
tert-butyl-[(1S)-1-cyclohexyl-2-trimethylsilyloxybut-2-enoxy]-dimethylsilane
CID 140080811
tert-butyl-[(1R)-1-cyclohexyl-2-trimethylsilyloxybut-2-enoxy]-dimethylsilane
CID 140080812
tert-butyl-[(Z,1R)-1-cyclohexyl-2-trimethylsilyloxybut-2-enoxy]-dimethylsilane
CID 140080818
Tert-butyl-(4-cyclohexylcyclopenten-1-yl)oxy-dimethylsilane
CID 12013671
tert-butyl-[(1R,4R)-2,4-dimethyl-3-(3-methylbut-3-enyl)-1-pent-4-enylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 99772461
tert-butyl-[(1R,4S)-2,4-dimethyl-3-(3-methylbut-3-enyl)-1-pent-4-enylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 99772462
tert-butyl-[(1S,4R)-2,4-dimethyl-3-(3-methylbut-3-enyl)-1-pent-4-enylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 99772463
tert-butyl-[(1S,4S)-2,4-dimethyl-3-(3-methylbut-3-enyl)-1-pent-4-enylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 99772464
Tert-butyl(dimethyl)silyl 2,4-dimethyl-3-(3-methyl-3-butenyl)-1-(4-pentenyl)-2-cyclohexen-1-YL ether
CID 117070715
(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-ol
CID 135050234

Frequently Asked Questions

What is the IUPAC name of lithium (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-olate?
The IUPAC name of lithium (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-olate (CID 135050233) is lithium (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-olate.
What is the SMILES notation for lithium (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-olate?
The canonical SMILES for lithium (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-olate is C/C=C(\[O-])[C@@](C)(O[Si](C)(C)C(C)(C)C)C1CCCCC1.[Li+].
What is the InChIKey of lithium (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-olate?
The InChIKey is LWLGTJNIAXJYBE-SMHMBWIZSA-M. The full InChI is InChI=1S/C17H34O2Si.Li/c1-8-15(18)17(5,14-12-10-9-11-13-14)19-20(6,7)16(2,3)4;/h8,14,18H,9-13H2,1-7H3;/q;+1/p-1/b15-8-;/t17-;/m0./s1.
What are the key properties of lithium (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-olate?
lithium (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-olate has a molecular weight of 304.48 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-olate is sourced from PubChem (CID 135050233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).