lithium;(E,2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-4-en-3-one;chloride

C14H28ClLiO2Si — CID 87285608

IUPAClithium;(E,2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-4-en-3-one;chloride
SMILESCCC/C=C/C(=O)[C@H](C)O[Si](C)(C)C(C)(C)C.[Cl-].[Li+]
InChIInChI=1S/C14H28O2Si.ClH.Li/c1-8-9-10-11-13(15)12(2)16-17(6,7)14(3,4)5;;/h10-12H,8-9H2,1-7H3;1H;/q;;+1/p-1/b11-10+;;/t12-;;/m0../s1
InChIKeyGUKUBTUDQOHKOO-ALCUURHYSA-M
MW298.86 g/mol
LogP-1.67
Rot. Bonds6

About lithium;(E,2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-4-en-3-one;chloride

lithium;(E,2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-4-en-3-one;chloride (PubChem CID 87285608) has the molecular formula C14H28ClLiO2Si and a molecular weight of 298.86 g/mol. Its IUPAC name is lithium;(E,2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-4-en-3-one;chloride.

Molecular Properties

Compound Namelithium;(E,2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-4-en-3-one;chloride
PubChem CID87285608
Molecular FormulaC14H28ClLiO2Si
Molecular Weight298.86 g/mol
Exact Mass298.17
IUPAC Namelithium;(E,2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-4-en-3-one;chloride
SMILESCCC/C=C/C(=O)[C@H](C)O[Si](C)(C)C(C)(C)C.[Cl-].[Li+]
InChIInChI=1S/C14H28O2Si.ClH.Li/c1-8-9-10-11-13(15)12(2)16-17(6,7)14(3,4)5;;/h10-12H,8-9H2,1-7H3;1H;/q;;+1/p-1/b11-10+;;/t12-;;/m0../s1
InChIKeyGUKUBTUDQOHKOO-ALCUURHYSA-M
XLogP-1.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 5-1.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze lithium;(E,2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-4-en-3-one;chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium;(E,2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-4-en-3-one;chloride?
The IUPAC name of lithium;(E,2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-4-en-3-one;chloride (CID 87285608) is lithium;(E,2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-4-en-3-one;chloride.
What is the SMILES notation for lithium;(E,2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-4-en-3-one;chloride?
The canonical SMILES for lithium;(E,2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-4-en-3-one;chloride is CCC/C=C/C(=O)[C@H](C)O[Si](C)(C)C(C)(C)C.[Cl-].[Li+].
What is the InChIKey of lithium;(E,2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-4-en-3-one;chloride?
The InChIKey is GUKUBTUDQOHKOO-ALCUURHYSA-M. The full InChI is InChI=1S/C14H28O2Si.ClH.Li/c1-8-9-10-11-13(15)12(2)16-17(6,7)14(3,4)5;;/h10-12H,8-9H2,1-7H3;1H;/q;;+1/p-1/b11-10+;;/t12-;;/m0../s1.
What are the key properties of lithium;(E,2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-4-en-3-one;chloride?
lithium;(E,2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-4-en-3-one;chloride has a molecular weight of 298.86 g/mol, XLogP of -1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(E,2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-4-en-3-one;chloride is sourced from PubChem (CID 87285608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).