lithium tert-butyl-dimethyl-oct-1-yn-3-yloxysilane

C14H27LiOSi — CID 71401122

IUPAClithium tert-butyl-dimethyl-oct-1-yn-3-yloxysilane
SMILES[C-]#CC(CCCCC)O[Si](C)(C)C(C)(C)C.[Li+]
InChIInChI=1S/C14H27OSi.Li/c1-8-10-11-12-13(9-2)15-16(6,7)14(3,4)5;/h13H,8,10-12H2,1,3-7H3;/q-1;+1
InChIKeyCTVYBLYXRNXKFV-UHFFFAOYSA-N
MW246.40 g/mol
LogP1.55
Rot. Bonds6

About lithium tert-butyl-dimethyl-oct-1-yn-3-yloxysilane

lithium tert-butyl-dimethyl-oct-1-yn-3-yloxysilane (PubChem CID 71401122) has the molecular formula C14H27LiOSi and a molecular weight of 246.40 g/mol. Its IUPAC name is lithium tert-butyl-dimethyl-oct-1-yn-3-yloxysilane.

Molecular Properties

Compound Namelithium tert-butyl-dimethyl-oct-1-yn-3-yloxysilane
PubChem CID71401122
Molecular FormulaC14H27LiOSi
Molecular Weight246.40 g/mol
Exact Mass246.20
IUPAC Namelithium tert-butyl-dimethyl-oct-1-yn-3-yloxysilane
SMILES[C-]#CC(CCCCC)O[Si](C)(C)C(C)(C)C.[Li+]
InChIInChI=1S/C14H27OSi.Li/c1-8-10-11-12-13(9-2)15-16(6,7)14(3,4)5;/h13H,8,10-12H2,1,3-7H3;/q-1;+1
InChIKeyCTVYBLYXRNXKFV-UHFFFAOYSA-N
XLogP1.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 51.55
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': 'triple_bond', 'substructure': 'N/A'}

Analyze lithium tert-butyl-dimethyl-oct-1-yn-3-yloxysilane 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 tert-butyl-dimethyl-oct-1-yn-3-yloxysilane?
The IUPAC name of lithium tert-butyl-dimethyl-oct-1-yn-3-yloxysilane (CID 71401122) is lithium tert-butyl-dimethyl-oct-1-yn-3-yloxysilane.
What is the SMILES notation for lithium tert-butyl-dimethyl-oct-1-yn-3-yloxysilane?
The canonical SMILES for lithium tert-butyl-dimethyl-oct-1-yn-3-yloxysilane is [C-]#CC(CCCCC)O[Si](C)(C)C(C)(C)C.[Li+].
What is the InChIKey of lithium tert-butyl-dimethyl-oct-1-yn-3-yloxysilane?
The InChIKey is CTVYBLYXRNXKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27OSi.Li/c1-8-10-11-12-13(9-2)15-16(6,7)14(3,4)5;/h13H,8,10-12H2,1,3-7H3;/q-1;+1.
What are the key properties of lithium tert-butyl-dimethyl-oct-1-yn-3-yloxysilane?
lithium tert-butyl-dimethyl-oct-1-yn-3-yloxysilane has a molecular weight of 246.40 g/mol, XLogP of 1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tert-butyl-dimethyl-oct-1-yn-3-yloxysilane is sourced from PubChem (CID 71401122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).