lithium 3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane

C15H25LiO2Si — CID 10635935

IUPAClithium 3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane
SMILESC=[C-]CC1(CC#C[Si](C)(C)C)COC(C)(C)OC1.[Li+]
InChIInChI=1S/C15H25O2Si.Li/c1-7-9-15(10-8-11-18(4,5)6)12-16-14(2,3)17-13-15;/h1,9-10,12-13H2,2-6H3;/q-1;+1
InChIKeyFENBEZJJSXSWND-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.41
Rot. Bonds3

About lithium 3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane

lithium 3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane (PubChem CID 10635935) has the molecular formula C15H25LiO2Si and a molecular weight of 272.39 g/mol. Its IUPAC name is lithium 3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane.

Molecular Properties

Compound Namelithium 3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane
PubChem CID10635935
Molecular FormulaC15H25LiO2Si
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Namelithium 3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane
SMILESC=[C-]CC1(CC#C[Si](C)(C)C)COC(C)(C)OC1.[Li+]
InChIInChI=1S/C15H25O2Si.Li/c1-7-9-15(10-8-11-18(4,5)6)12-16-14(2,3)17-13-15;/h1,9-10,12-13H2,2-6H3;/q-1;+1
InChIKeyFENBEZJJSXSWND-UHFFFAOYSA-N
XLogP0.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze lithium 3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane 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 3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane?
The IUPAC name of lithium 3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane (CID 10635935) is lithium 3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane.
What is the SMILES notation for lithium 3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane?
The canonical SMILES for lithium 3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane is C=[C-]CC1(CC#C[Si](C)(C)C)COC(C)(C)OC1.[Li+].
What is the InChIKey of lithium 3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane?
The InChIKey is FENBEZJJSXSWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25O2Si.Li/c1-7-9-15(10-8-11-18(4,5)6)12-16-14(2,3)17-13-15;/h1,9-10,12-13H2,2-6H3;/q-1;+1.
What are the key properties of lithium 3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane?
lithium 3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane has a molecular weight of 272.39 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane is sourced from PubChem (CID 10635935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).