lithium tert-butyl-[(E)-5-(2-tert-butyl-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)pent-4-enoxy]-dimethylsilane

C21H44BLiO3Si — CID 57332414

IUPAClithium tert-butyl-[(E)-5-(2-tert-butyl-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)pent-4-enoxy]-dimethylsilane
SMILESCC(C)(C)[B-]1(/C=C/CCCO[Si](C)(C)C(C)(C)C)OC(C)(C)C(C)(C)O1.[Li+]
InChIInChI=1S/C21H44BO3Si.Li/c1-18(2,3)22(24-20(7,8)21(9,10)25-22)16-14-13-15-17-23-26(11,12)19(4,5)6;/h14,16H,13,15,17H2,1-12H3;/q-1;+1/b16-14+;
InChIKeySBDKIXIHQFITRC-BACBYAOASA-N
MW390.42 g/mol
LogP3.73
Rot. Bonds6

About lithium tert-butyl-[(E)-5-(2-tert-butyl-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)pent-4-enoxy]-dimethylsilane

lithium tert-butyl-[(E)-5-(2-tert-butyl-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)pent-4-enoxy]-dimethylsilane (PubChem CID 57332414) has the molecular formula C21H44BLiO3Si and a molecular weight of 390.42 g/mol. Its IUPAC name is lithium tert-butyl-[(E)-5-(2-tert-butyl-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)pent-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Namelithium tert-butyl-[(E)-5-(2-tert-butyl-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)pent-4-enoxy]-dimethylsilane
PubChem CID57332414
Molecular FormulaC21H44BLiO3Si
Molecular Weight390.42 g/mol
Exact Mass390.33
IUPAC Namelithium tert-butyl-[(E)-5-(2-tert-butyl-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)pent-4-enoxy]-dimethylsilane
SMILESCC(C)(C)[B-]1(/C=C/CCCO[Si](C)(C)C(C)(C)C)OC(C)(C)C(C)(C)O1.[Li+]
InChIInChI=1S/C21H44BO3Si.Li/c1-18(2,3)22(24-20(7,8)21(9,10)25-22)16-14-13-15-17-23-26(11,12)19(4,5)6;/h14,16H,13,15,17H2,1-12H3;/q-1;+1/b16-14+;
InChIKeySBDKIXIHQFITRC-BACBYAOASA-N
XLogP3.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze lithium tert-butyl-[(E)-5-(2-tert-butyl-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)pent-4-enoxy]-dimethylsilane with MolForge

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

Launch Full Analysis

Related Compounds

(E)-tert-Butyldimethyl((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-1-yl)oxy)silane
CID 16217344
(E)-tert-Butyldimethyl((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl)oxy)silane
CID 11688192
tert-butyl-dimethyl-[(Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane
CID 9973646
tert-Butyldimethyl((3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-1-yl)oxy)silane
CID 11347477
(E)-Tert-butyldimethyl((5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)pent-4-EN-1-YL)oxy)silane
CID 11851250
[(3R)-3,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-tert-butyl-dimethylsilane
CID 16750756
tert-butyl-dimethyl-[(4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane
CID 24754553
tert-butyl-[(E)-4-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane
CID 24850804
Tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane
CID 101350027
dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enyl]silane
CID 101555549
dimethyl-propan-2-yloxy-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]silane
CID 102103750
tert-butyl-[(E)-4-[chloro(dimethyl)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane
CID 102111320

Frequently Asked Questions

What is the IUPAC name of lithium tert-butyl-[(E)-5-(2-tert-butyl-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)pent-4-enoxy]-dimethylsilane?
The IUPAC name of lithium tert-butyl-[(E)-5-(2-tert-butyl-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)pent-4-enoxy]-dimethylsilane (CID 57332414) is lithium tert-butyl-[(E)-5-(2-tert-butyl-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)pent-4-enoxy]-dimethylsilane.
What is the SMILES notation for lithium tert-butyl-[(E)-5-(2-tert-butyl-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)pent-4-enoxy]-dimethylsilane?
The canonical SMILES for lithium tert-butyl-[(E)-5-(2-tert-butyl-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)pent-4-enoxy]-dimethylsilane is CC(C)(C)[B-]1(/C=C/CCCO[Si](C)(C)C(C)(C)C)OC(C)(C)C(C)(C)O1.[Li+].
What is the InChIKey of lithium tert-butyl-[(E)-5-(2-tert-butyl-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)pent-4-enoxy]-dimethylsilane?
The InChIKey is SBDKIXIHQFITRC-BACBYAOASA-N. The full InChI is InChI=1S/C21H44BO3Si.Li/c1-18(2,3)22(24-20(7,8)21(9,10)25-22)16-14-13-15-17-23-26(11,12)19(4,5)6;/h14,16H,13,15,17H2,1-12H3;/q-1;+1/b16-14+;.
What are the key properties of lithium tert-butyl-[(E)-5-(2-tert-butyl-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)pent-4-enoxy]-dimethylsilane?
lithium tert-butyl-[(E)-5-(2-tert-butyl-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)pent-4-enoxy]-dimethylsilane has a molecular weight of 390.42 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tert-butyl-[(E)-5-(2-tert-butyl-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)pent-4-enoxy]-dimethylsilane is sourced from PubChem (CID 57332414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).