lithium tert-butyl-dimethyl-(2-methylidenebutoxy)silane

C11H23LiOSi — CID 155934020

IUPAClithium tert-butyl-dimethyl-(2-methylidenebutoxy)silane
SMILESC=C(C[CH2-])CO[Si](C)(C)C(C)(C)C.[Li+]
InChIInChI=1S/C11H23OSi.Li/c1-8-10(2)9-12-13(6,7)11(3,4)5;/h1-2,8-9H2,3-7H3;/q-1;+1
InChIKeyROXMQCRWLUOTSO-UHFFFAOYSA-N
MW206.33 g/mol
LogP0.79
Rot. Bonds4

About lithium tert-butyl-dimethyl-(2-methylidenebutoxy)silane

lithium tert-butyl-dimethyl-(2-methylidenebutoxy)silane (PubChem CID 155934020) has the molecular formula C11H23LiOSi and a molecular weight of 206.33 g/mol. Its IUPAC name is lithium tert-butyl-dimethyl-(2-methylidenebutoxy)silane.

Molecular Properties

Compound Namelithium tert-butyl-dimethyl-(2-methylidenebutoxy)silane
PubChem CID155934020
Molecular FormulaC11H23LiOSi
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Namelithium tert-butyl-dimethyl-(2-methylidenebutoxy)silane
SMILESC=C(C[CH2-])CO[Si](C)(C)C(C)(C)C.[Li+]
InChIInChI=1S/C11H23OSi.Li/c1-8-10(2)9-12-13(6,7)11(3,4)5;/h1-2,8-9H2,3-7H3;/q-1;+1
InChIKeyROXMQCRWLUOTSO-UHFFFAOYSA-N
XLogP0.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of lithium tert-butyl-dimethyl-(2-methylidenebutoxy)silane?
The IUPAC name of lithium tert-butyl-dimethyl-(2-methylidenebutoxy)silane (CID 155934020) is lithium tert-butyl-dimethyl-(2-methylidenebutoxy)silane.
What is the SMILES notation for lithium tert-butyl-dimethyl-(2-methylidenebutoxy)silane?
The canonical SMILES for lithium tert-butyl-dimethyl-(2-methylidenebutoxy)silane is C=C(C[CH2-])CO[Si](C)(C)C(C)(C)C.[Li+].
What is the InChIKey of lithium tert-butyl-dimethyl-(2-methylidenebutoxy)silane?
The InChIKey is ROXMQCRWLUOTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23OSi.Li/c1-8-10(2)9-12-13(6,7)11(3,4)5;/h1-2,8-9H2,3-7H3;/q-1;+1.
What are the key properties of lithium tert-butyl-dimethyl-(2-methylidenebutoxy)silane?
lithium tert-butyl-dimethyl-(2-methylidenebutoxy)silane has a molecular weight of 206.33 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tert-butyl-dimethyl-(2-methylidenebutoxy)silane is sourced from PubChem (CID 155934020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).