triethyl-[(1S,4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohept-2-en-1-yl]oxysilane

C19H37BO3Si — CID 154713040

IUPACtriethyl-[(1S,4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohept-2-en-1-yl]oxysilane
SMILESCC[Si](CC)(CC)O[C@@H]1C=C[C@@H](B2OC(C)(C)C(C)(C)O2)CCC1
InChIInChI=1S/C19H37BO3Si/c1-8-24(9-2,10-3)21-17-13-11-12-16(14-15-17)20-22-18(4,5)19(6,7)23-20/h14-17H,8-13H2,1-7H3/t16-,17-/m0/s1
InChIKeyAENFFMFNPBTOSV-IRXDYDNUSA-N
MW352.40 g/mol
LogP5.58
Rot. Bonds6

About triethyl-[(1S,4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohept-2-en-1-yl]oxysilane

triethyl-[(1S,4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohept-2-en-1-yl]oxysilane (PubChem CID 154713040) has the molecular formula C19H37BO3Si and a molecular weight of 352.40 g/mol. Its IUPAC name is triethyl-[(1S,4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohept-2-en-1-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(1S,4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohept-2-en-1-yl]oxysilane
PubChem CID154713040
Molecular FormulaC19H37BO3Si
Molecular Weight352.40 g/mol
Exact Mass352.26
IUPAC Nametriethyl-[(1S,4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohept-2-en-1-yl]oxysilane
SMILESCC[Si](CC)(CC)O[C@@H]1C=C[C@@H](B2OC(C)(C)C(C)(C)O2)CCC1
InChIInChI=1S/C19H37BO3Si/c1-8-24(9-2,10-3)21-17-13-11-12-16(14-15-17)20-22-18(4,5)19(6,7)23-20/h14-17H,8-13H2,1-7H3/t16-,17-/m0/s1
InChIKeyAENFFMFNPBTOSV-IRXDYDNUSA-N
XLogP5.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.40
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyldimethyl((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl)oxy)silane
CID 53393368
tert-butyl-dimethyl-[(10E,12E)-13-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)tetradeca-10,12-dienoxy]silane
CID 154711819
triethyl-[(1S,4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-yl]oxysilane
CID 154712120
tert-butyl-[(2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane
CID 154712424
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
tert-butyl-[(2Z,4E)-5,9-dimethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethylidene]deca-4,8-dienoxy]-dimethylsilane
CID 154715582
dimethyl-propan-2-yloxy-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-2-enyl]silane
CID 154721147
dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-2-enyl]silane
CID 154721848
tert-butyl-dimethyl-[[(6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexen-1-yl]methoxy]silane
CID 164668677
tert-butyl-dimethyl-[[(6S)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexen-1-yl]methoxy]silane
CID 164671477
2-[3-(Tert-butyl-dimethyl-silanyloxy)-oct-1-enyl]-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
CID 131745307
(S,E)-tert-butyldimethyl{[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-en-3-yl]oxy}silane
CID 131745314

Frequently Asked Questions

What is the IUPAC name of triethyl-[(1S,4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohept-2-en-1-yl]oxysilane?
The IUPAC name of triethyl-[(1S,4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohept-2-en-1-yl]oxysilane (CID 154713040) is triethyl-[(1S,4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohept-2-en-1-yl]oxysilane.
What is the SMILES notation for triethyl-[(1S,4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohept-2-en-1-yl]oxysilane?
The canonical SMILES for triethyl-[(1S,4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohept-2-en-1-yl]oxysilane is CC[Si](CC)(CC)O[C@@H]1C=C[C@@H](B2OC(C)(C)C(C)(C)O2)CCC1.
What is the InChIKey of triethyl-[(1S,4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohept-2-en-1-yl]oxysilane?
The InChIKey is AENFFMFNPBTOSV-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H37BO3Si/c1-8-24(9-2,10-3)21-17-13-11-12-16(14-15-17)20-22-18(4,5)19(6,7)23-20/h14-17H,8-13H2,1-7H3/t16-,17-/m0/s1.
What are the key properties of triethyl-[(1S,4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohept-2-en-1-yl]oxysilane?
triethyl-[(1S,4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohept-2-en-1-yl]oxysilane has a molecular weight of 352.40 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(1S,4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohept-2-en-1-yl]oxysilane is sourced from PubChem (CID 154713040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).