lithium tert-butyl-[(Z,4S)-dec-5-en-4-yl]oxy-dimethylsilane

C16H33LiOSi — CID 154722431

IUPAClithium tert-butyl-[(Z,4S)-dec-5-en-4-yl]oxy-dimethylsilane
SMILESC[CH-]C[C@@H](/C=C\CCCC)O[Si](C)(C)C(C)(C)C.[Li+]
InChIInChI=1S/C16H33OSi.Li/c1-8-10-11-12-14-15(13-9-2)17-18(6,7)16(3,4)5;/h9,12,14-15H,8,10-11,13H2,1-7H3;/q-1;+1/b14-12-;/t15-;/m0./s1
InChIKeyLOVPQEAWECURMS-UVTWXFLPSA-N
MW276.47 g/mol
LogP2.74
Rot. Bonds8

About lithium tert-butyl-[(Z,4S)-dec-5-en-4-yl]oxy-dimethylsilane

lithium tert-butyl-[(Z,4S)-dec-5-en-4-yl]oxy-dimethylsilane (PubChem CID 154722431) has the molecular formula C16H33LiOSi and a molecular weight of 276.47 g/mol. Its IUPAC name is lithium tert-butyl-[(Z,4S)-dec-5-en-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Namelithium tert-butyl-[(Z,4S)-dec-5-en-4-yl]oxy-dimethylsilane
PubChem CID154722431
Molecular FormulaC16H33LiOSi
Molecular Weight276.47 g/mol
Exact Mass276.25
IUPAC Namelithium tert-butyl-[(Z,4S)-dec-5-en-4-yl]oxy-dimethylsilane
SMILESC[CH-]C[C@@H](/C=C\CCCC)O[Si](C)(C)C(C)(C)C.[Li+]
InChIInChI=1S/C16H33OSi.Li/c1-8-10-11-12-14-15(13-9-2)17-18(6,7)16(3,4)5;/h9,12,14-15H,8,10-11,13H2,1-7H3;/q-1;+1/b14-12-;/t15-;/m0./s1
InChIKeyLOVPQEAWECURMS-UVTWXFLPSA-N
XLogP2.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Geraniol, tert-butyldimethylsilyl ether
CID 6536899
(2-Cyclopenten-1-yloxy)(triisopropyl)silane
CID 10977584
Cyclopent-2-en-1-yloxy(trimethyl)silane
CID 12504315
Farnesol, tert-butyldimethylsilyl ether
CID 10337114
Tert-butyl-cyclopent-2-en-1-yloxy-dimethylsilane
CID 9815574
tert-Butyl(cyclohex-2-enyloxy)dimethylsilane
CID 11085130
[(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxy-dimethyl-prop-2-enylsilane
CID 11543224
tert-butyl-[(1S)-cyclopent-2-en-1-yl]oxy-dimethylsilane
CID 12445093
tert-butyl-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 15110385
tert-butyl-[(2E,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,6-dienoxy]-dimethylsilane
CID 5387042
2-Triisobutylsilyloxyoct-3-ene
CID 5353180
2-Trimethylsilyloxyoct-3-ene
CID 5353183

Frequently Asked Questions

What is the IUPAC name of lithium tert-butyl-[(Z,4S)-dec-5-en-4-yl]oxy-dimethylsilane?
The IUPAC name of lithium tert-butyl-[(Z,4S)-dec-5-en-4-yl]oxy-dimethylsilane (CID 154722431) is lithium tert-butyl-[(Z,4S)-dec-5-en-4-yl]oxy-dimethylsilane.
What is the SMILES notation for lithium tert-butyl-[(Z,4S)-dec-5-en-4-yl]oxy-dimethylsilane?
The canonical SMILES for lithium tert-butyl-[(Z,4S)-dec-5-en-4-yl]oxy-dimethylsilane is C[CH-]C[C@@H](/C=C\CCCC)O[Si](C)(C)C(C)(C)C.[Li+].
What is the InChIKey of lithium tert-butyl-[(Z,4S)-dec-5-en-4-yl]oxy-dimethylsilane?
The InChIKey is LOVPQEAWECURMS-UVTWXFLPSA-N. The full InChI is InChI=1S/C16H33OSi.Li/c1-8-10-11-12-14-15(13-9-2)17-18(6,7)16(3,4)5;/h9,12,14-15H,8,10-11,13H2,1-7H3;/q-1;+1/b14-12-;/t15-;/m0./s1.
What are the key properties of lithium tert-butyl-[(Z,4S)-dec-5-en-4-yl]oxy-dimethylsilane?
lithium tert-butyl-[(Z,4S)-dec-5-en-4-yl]oxy-dimethylsilane has a molecular weight of 276.47 g/mol, XLogP of 2.74, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tert-butyl-[(Z,4S)-dec-5-en-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 154722431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).