tert-butyl-dimethyl-[(4R,6R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexadec-1-en-6-yl]oxysilane

C28H57BO3Si — CID 154713039

IUPACtert-butyl-dimethyl-[(4R,6R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexadec-1-en-6-yl]oxysilane
SMILESC=CC[C@H](C[C@@H](CCCCCCCCCC)O[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C28H57BO3Si/c1-12-14-15-16-17-18-19-20-22-25(30-33(10,11)26(3,4)5)23-24(21-13-2)29-31-27(6,7)28(8,9)32-29/h13,24-25H,2,12,14-23H2,1,3-11H3/t24-,25-/m1/s1
InChIKeyBFRNKROGPGXCFZ-JWQCQUIFSA-N
MW480.66 g/mol
LogP9.34
Rot. Bonds16

About tert-butyl-dimethyl-[(4R,6R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexadec-1-en-6-yl]oxysilane

tert-butyl-dimethyl-[(4R,6R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexadec-1-en-6-yl]oxysilane (PubChem CID 154713039) has the molecular formula C28H57BO3Si and a molecular weight of 480.66 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(4R,6R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexadec-1-en-6-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(4R,6R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexadec-1-en-6-yl]oxysilane
PubChem CID154713039
Molecular FormulaC28H57BO3Si
Molecular Weight480.66 g/mol
Exact Mass480.42
IUPAC Nametert-butyl-dimethyl-[(4R,6R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexadec-1-en-6-yl]oxysilane
SMILESC=CC[C@H](C[C@@H](CCCCCCCCCC)O[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C28H57BO3Si/c1-12-14-15-16-17-18-19-20-22-25(30-33(10,11)26(3,4)5)23-24(21-13-2)29-31-27(6,7)28(8,9)32-29/h13,24-25H,2,12,14-23H2,1,3-11H3/t24-,25-/m1/s1
InChIKeyBFRNKROGPGXCFZ-JWQCQUIFSA-N
XLogP9.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.66
LogP ≤ 59.34
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-[(Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane
CID 9973646
(E)-Tert-butyldimethyl((5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)pent-4-EN-1-YL)oxy)silane
CID 11851250
tert-butyl-dimethyl-[(4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane
CID 24754553
dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-enyl]silane
CID 101499393
dimethyl-propan-2-yloxy-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-en-2-yl]silane
CID 102088903
dimethyl-propan-2-yloxy-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-en-2-yl]silane
CID 102088904
methoxydimethyl((2S,3R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-en-3-yl)silane
CID 124221683
tert-butyl-[(Z,2S)-2,6-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane
CID 134956995
dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-1-enyl]silane
CID 154711241
dimethyl-propan-2-yloxy-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-1-en-2-yl]silane
CID 154711790
tert-butyl-dimethyl-[(10E,12E)-13-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)tetradeca-10,12-dienoxy]silane
CID 154711819
tert-butyl-dimethyl-[(1R)-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane
CID 154712141

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(4R,6R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexadec-1-en-6-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(4R,6R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexadec-1-en-6-yl]oxysilane (CID 154713039) is tert-butyl-dimethyl-[(4R,6R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexadec-1-en-6-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(4R,6R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexadec-1-en-6-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(4R,6R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexadec-1-en-6-yl]oxysilane is C=CC[C@H](C[C@@H](CCCCCCCCCC)O[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of tert-butyl-dimethyl-[(4R,6R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexadec-1-en-6-yl]oxysilane?
The InChIKey is BFRNKROGPGXCFZ-JWQCQUIFSA-N. The full InChI is InChI=1S/C28H57BO3Si/c1-12-14-15-16-17-18-19-20-22-25(30-33(10,11)26(3,4)5)23-24(21-13-2)29-31-27(6,7)28(8,9)32-29/h13,24-25H,2,12,14-23H2,1,3-11H3/t24-,25-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(4R,6R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexadec-1-en-6-yl]oxysilane?
tert-butyl-dimethyl-[(4R,6R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexadec-1-en-6-yl]oxysilane has a molecular weight of 480.66 g/mol, XLogP of 9.34, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(4R,6R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexadec-1-en-6-yl]oxysilane is sourced from PubChem (CID 154713039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).