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

C20H39BO3Si — CID 131745705

IUPACtert-butyl-[(1R)-6,6-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESCC1(C)CCC(B2OC(C)(C)C(C)(C)O2)=C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H39BO3Si/c1-17(2,3)25(10,11)22-16-14-15(12-13-18(16,4)5)21-23-19(6,7)20(8,9)24-21/h14,16H,12-13H2,1-11H3/t16-/m1/s1
InChIKeyRKPFEKQSMAURJE-MRXNPFEDSA-N
MW366.43 g/mol
LogP5.75
Rot. Bonds3

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

tert-butyl-[(1R)-6,6-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-yl]oxy-dimethylsilane (PubChem CID 131745705) has the molecular formula C20H39BO3Si and a molecular weight of 366.43 g/mol. Its IUPAC name is tert-butyl-[(1R)-6,6-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R)-6,6-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-yl]oxy-dimethylsilane
PubChem CID131745705
Molecular FormulaC20H39BO3Si
Molecular Weight366.43 g/mol
Exact Mass366.28
IUPAC Nametert-butyl-[(1R)-6,6-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESCC1(C)CCC(B2OC(C)(C)C(C)(C)O2)=C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H39BO3Si/c1-17(2,3)25(10,11)22-16-14-15(12-13-18(16,4)5)21-23-19(6,7)20(8,9)24-21/h14,16H,12-13H2,1-11H3/t16-/m1/s1
InChIKeyRKPFEKQSMAURJE-MRXNPFEDSA-N
XLogP5.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.43
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R)-6,6-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R)-6,6-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-yl]oxy-dimethylsilane (CID 131745705) is tert-butyl-[(1R)-6,6-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R)-6,6-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R)-6,6-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-yl]oxy-dimethylsilane is CC1(C)CCC(B2OC(C)(C)C(C)(C)O2)=C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1R)-6,6-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is RKPFEKQSMAURJE-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H39BO3Si/c1-17(2,3)25(10,11)22-16-14-15(12-13-18(16,4)5)21-23-19(6,7)20(8,9)24-21/h14,16H,12-13H2,1-11H3/t16-/m1/s1.
What are the key properties of tert-butyl-[(1R)-6,6-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1R)-6,6-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 366.43 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R)-6,6-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 131745705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).