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

C18H35BO3Si — CID 154712120

IUPACtriethyl-[(1S,4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-yl]oxysilane
SMILESCC[Si](CC)(CC)O[C@@H]1C=C[C@@H](B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C18H35BO3Si/c1-8-23(9-2,10-3)20-16-13-11-15(12-14-16)19-21-17(4,5)18(6,7)22-19/h11,13,15-16H,8-10,12,14H2,1-7H3/t15-,16-/m1/s1
InChIKeyICRWPJCCBAUQPU-HZPDHXFCSA-N
MW338.37 g/mol
LogP5.19
Rot. Bonds6

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

triethyl-[(1S,4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-yl]oxysilane (PubChem CID 154712120) has the molecular formula C18H35BO3Si and a molecular weight of 338.37 g/mol. Its IUPAC name is triethyl-[(1S,4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(1S,4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-yl]oxysilane
PubChem CID154712120
Molecular FormulaC18H35BO3Si
Molecular Weight338.37 g/mol
Exact Mass338.24
IUPAC Nametriethyl-[(1S,4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-yl]oxysilane
SMILESCC[Si](CC)(CC)O[C@@H]1C=C[C@@H](B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C18H35BO3Si/c1-8-23(9-2,10-3)20-16-13-11-15(12-14-16)19-21-17(4,5)18(6,7)22-19/h11,13,15-16H,8-10,12,14H2,1-7H3/t15-,16-/m1/s1
InChIKeyICRWPJCCBAUQPU-HZPDHXFCSA-N
XLogP5.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.37
LogP ≤ 55.19
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-[(4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane
CID 24754553
tert-butyl-dimethyl-[(1E,3R,4R,5E)-3,5,8-trimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nona-1,5-dien-4-yl]oxysilane
CID 60153233
dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enyl]silane
CID 101555549
triethyl-[(1S,4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohept-2-en-1-yl]oxysilane
CID 154713040
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)hex-2-enyl]silane
CID 154720743
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
tri(propan-2-yl)-[(E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane
CID 176426673

Frequently Asked Questions

What is the IUPAC name of triethyl-[(1S,4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-yl]oxysilane?
The IUPAC name of triethyl-[(1S,4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-yl]oxysilane (CID 154712120) is triethyl-[(1S,4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-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)cyclohex-2-en-1-yl]oxysilane?
The canonical SMILES for triethyl-[(1S,4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-yl]oxysilane is CC[Si](CC)(CC)O[C@@H]1C=C[C@@H](B2OC(C)(C)C(C)(C)O2)CC1.
What is the InChIKey of triethyl-[(1S,4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-yl]oxysilane?
The InChIKey is ICRWPJCCBAUQPU-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H35BO3Si/c1-8-23(9-2,10-3)20-16-13-11-15(12-14-16)19-21-17(4,5)18(6,7)22-19/h11,13,15-16H,8-10,12,14H2,1-7H3/t15-,16-/m1/s1.
What are the key properties of triethyl-[(1S,4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-yl]oxysilane?
triethyl-[(1S,4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-yl]oxysilane has a molecular weight of 338.37 g/mol, XLogP of 5.19, 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)cyclohex-2-en-1-yl]oxysilane is sourced from PubChem (CID 154712120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).