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

C14H23LiOSi — CID 59937991

IUPAClithium tert-butyl-dimethyl-(2-phenylethoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCCc1cc[c-]cc1.[Li+]
InChIInChI=1S/C14H23OSi.Li/c1-14(2,3)16(4,5)15-12-11-13-9-7-6-8-10-13;/h7-10H,11-12H2,1-5H3;/q-1;+1
InChIKeyMIOKSRHTGLNOBA-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.06
Rot. Bonds4

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

lithium tert-butyl-dimethyl-(2-phenylethoxy)silane (PubChem CID 59937991) has the molecular formula C14H23LiOSi and a molecular weight of 242.36 g/mol. Its IUPAC name is lithium tert-butyl-dimethyl-(2-phenylethoxy)silane.

Molecular Properties

Compound Namelithium tert-butyl-dimethyl-(2-phenylethoxy)silane
PubChem CID59937991
Molecular FormulaC14H23LiOSi
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Namelithium tert-butyl-dimethyl-(2-phenylethoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCCc1cc[c-]cc1.[Li+]
InChIInChI=1S/C14H23OSi.Li/c1-14(2,3)16(4,5)15-12-11-13-9-7-6-8-10-13;/h7-10H,11-12H2,1-5H3;/q-1;+1
InChIKeyMIOKSRHTGLNOBA-UHFFFAOYSA-N
XLogP1.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.06
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'}

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Frequently Asked Questions

What is the IUPAC name of lithium tert-butyl-dimethyl-(2-phenylethoxy)silane?
The IUPAC name of lithium tert-butyl-dimethyl-(2-phenylethoxy)silane (CID 59937991) is lithium tert-butyl-dimethyl-(2-phenylethoxy)silane.
What is the SMILES notation for lithium tert-butyl-dimethyl-(2-phenylethoxy)silane?
The canonical SMILES for lithium tert-butyl-dimethyl-(2-phenylethoxy)silane is CC(C)(C)[Si](C)(C)OCCc1cc[c-]cc1.[Li+].
What is the InChIKey of lithium tert-butyl-dimethyl-(2-phenylethoxy)silane?
The InChIKey is MIOKSRHTGLNOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23OSi.Li/c1-14(2,3)16(4,5)15-12-11-13-9-7-6-8-10-13;/h7-10H,11-12H2,1-5H3;/q-1;+1.
What are the key properties of lithium tert-butyl-dimethyl-(2-phenylethoxy)silane?
lithium tert-butyl-dimethyl-(2-phenylethoxy)silane has a molecular weight of 242.36 g/mol, XLogP of 1.06, 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-phenylethoxy)silane is sourced from PubChem (CID 59937991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).