tert-butyl-dimethyl-[(1R,5R)-1-methyl-5-prop-1-en-2-yl-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane

C26H49BO3Si — CID 154712100

IUPACtert-butyl-dimethyl-[(1R,5R)-1-methyl-5-prop-1-en-2-yl-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane
SMILESC=CC[C@@H](B1OC(C)(C)C(C)(C)O1)C1CC[C@@H](C(=C)C)C[C@@]1(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H49BO3Si/c1-14-15-22(27-28-24(7,8)25(9,10)29-27)21-17-16-20(19(2)3)18-26(21,11)30-31(12,13)23(4,5)6/h14,20-22H,1-2,15-18H2,3-13H3/t20-,21?,22-,26-/m1/s1
InChIKeyOVORTJONQBKTBW-VRMWFUSASA-N
MW448.57 g/mol
LogP7.80
Rot. Bonds7

About tert-butyl-dimethyl-[(1R,5R)-1-methyl-5-prop-1-en-2-yl-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane

tert-butyl-dimethyl-[(1R,5R)-1-methyl-5-prop-1-en-2-yl-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane (PubChem CID 154712100) has the molecular formula C26H49BO3Si and a molecular weight of 448.57 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R,5R)-1-methyl-5-prop-1-en-2-yl-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1R,5R)-1-methyl-5-prop-1-en-2-yl-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane
PubChem CID154712100
Molecular FormulaC26H49BO3Si
Molecular Weight448.57 g/mol
Exact Mass448.35
IUPAC Nametert-butyl-dimethyl-[(1R,5R)-1-methyl-5-prop-1-en-2-yl-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane
SMILESC=CC[C@@H](B1OC(C)(C)C(C)(C)O1)C1CC[C@@H](C(=C)C)C[C@@]1(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H49BO3Si/c1-14-15-22(27-28-24(7,8)25(9,10)29-27)21-17-16-20(19(2)3)18-26(21,11)30-31(12,13)23(4,5)6/h14,20-22H,1-2,15-18H2,3-13H3/t20-,21?,22-,26-/m1/s1
InChIKeyOVORTJONQBKTBW-VRMWFUSASA-N
XLogP7.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 57.80
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'}

Analyze tert-butyl-dimethyl-[(1R,5R)-1-methyl-5-prop-1-en-2-yl-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane with MolForge

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Launch Full Analysis

Related Compounds

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
tert-butyl-[[6,6-dimethyl-3-[(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enyl]-3-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane
CID 154712425
tert-butyl-[(1S,3R)-1-cyclohexyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane
CID 154713052

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R,5R)-1-methyl-5-prop-1-en-2-yl-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1R,5R)-1-methyl-5-prop-1-en-2-yl-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane (CID 154712100) is tert-butyl-dimethyl-[(1R,5R)-1-methyl-5-prop-1-en-2-yl-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1R,5R)-1-methyl-5-prop-1-en-2-yl-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1R,5R)-1-methyl-5-prop-1-en-2-yl-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane is C=CC[C@@H](B1OC(C)(C)C(C)(C)O1)C1CC[C@@H](C(=C)C)C[C@@]1(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(1R,5R)-1-methyl-5-prop-1-en-2-yl-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane?
The InChIKey is OVORTJONQBKTBW-VRMWFUSASA-N. The full InChI is InChI=1S/C26H49BO3Si/c1-14-15-22(27-28-24(7,8)25(9,10)29-27)21-17-16-20(19(2)3)18-26(21,11)30-31(12,13)23(4,5)6/h14,20-22H,1-2,15-18H2,3-13H3/t20-,21?,22-,26-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(1R,5R)-1-methyl-5-prop-1-en-2-yl-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane?
tert-butyl-dimethyl-[(1R,5R)-1-methyl-5-prop-1-en-2-yl-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane has a molecular weight of 448.57 g/mol, XLogP of 7.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1R,5R)-1-methyl-5-prop-1-en-2-yl-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane is sourced from PubChem (CID 154712100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).