4-methylpent-1-en-3-yloxy-diphenyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane

C24H33BO3Si — CID 101418081

IUPAC4-methylpent-1-en-3-yloxy-diphenyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane
SMILESC=CC(O[Si](B1OC(C)(C)C(C)(C)O1)(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C24H33BO3Si/c1-8-22(19(2)3)26-29(20-15-11-9-12-16-20,21-17-13-10-14-18-21)25-27-23(4,5)24(6,7)28-25/h8-19,22H,1H2,2-7H3
InChIKeyDKJNRHIGVYQJHV-UHFFFAOYSA-N
MW408.42 g/mol
LogP4.14
Rot. Bonds7

About 4-methylpent-1-en-3-yloxy-diphenyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane

4-methylpent-1-en-3-yloxy-diphenyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane (PubChem CID 101418081) has the molecular formula C24H33BO3Si and a molecular weight of 408.42 g/mol. Its IUPAC name is 4-methylpent-1-en-3-yloxy-diphenyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane.

Molecular Properties

Compound Name4-methylpent-1-en-3-yloxy-diphenyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane
PubChem CID101418081
Molecular FormulaC24H33BO3Si
Molecular Weight408.42 g/mol
Exact Mass408.23
IUPAC Name4-methylpent-1-en-3-yloxy-diphenyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane
SMILESC=CC(O[Si](B1OC(C)(C)C(C)(C)O1)(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C24H33BO3Si/c1-8-22(19(2)3)26-29(20-15-11-9-12-16-20,21-17-13-10-14-18-21)25-27-23(4,5)24(6,7)28-25/h8-19,22H,1H2,2-7H3
InChIKeyDKJNRHIGVYQJHV-UHFFFAOYSA-N
XLogP4.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 54.14
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 4-methylpent-1-en-3-yloxy-diphenyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4,5,5-tetramethyl-2-[(2R,3R)-3-phenylpent-4-en-2-yl]-1,3,2-dioxaborolane
CID 177451955
[(2R)-but-3-en-2-yl]-dimethyl-phenylsilane
CID 134947847
(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
CID 102030687
diphenyl-bis[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silane
CID 11048939
prop-1-ene;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane
CID 160688261
(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-4-en-1-ol
CID 175160919
[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-[[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-diphenylsilyl]oxy-diphenylsilane
CID 100993384
(2R,3R)-2-[dimethyl(phenyl)silyl]-3-methylpent-4-en-2-ol
CID 102406326
4-methylpent-1-en-3-yloxymethylbenzene
CID 14644024
[(3S)-4,4-dimethylpent-1-en-3-yl]-dimethyl-phenylsilane
CID 71712408
4,4,5,5-tetramethyl-2-[(3R)-5-phenylpent-1-en-3-yl]-1,3,2-dioxaborolane
CID 102582096
(E)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol
CID 102452468

Frequently Asked Questions

What is the IUPAC name of 4-methylpent-1-en-3-yloxy-diphenyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane?
The IUPAC name of 4-methylpent-1-en-3-yloxy-diphenyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane (CID 101418081) is 4-methylpent-1-en-3-yloxy-diphenyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane.
What is the SMILES notation for 4-methylpent-1-en-3-yloxy-diphenyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane?
The canonical SMILES for 4-methylpent-1-en-3-yloxy-diphenyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane is C=CC(O[Si](B1OC(C)(C)C(C)(C)O1)(c1ccccc1)c1ccccc1)C(C)C.
What is the InChIKey of 4-methylpent-1-en-3-yloxy-diphenyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane?
The InChIKey is DKJNRHIGVYQJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33BO3Si/c1-8-22(19(2)3)26-29(20-15-11-9-12-16-20,21-17-13-10-14-18-21)25-27-23(4,5)24(6,7)28-25/h8-19,22H,1H2,2-7H3.
What are the key properties of 4-methylpent-1-en-3-yloxy-diphenyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane?
4-methylpent-1-en-3-yloxy-diphenyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane has a molecular weight of 408.42 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpent-1-en-3-yloxy-diphenyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane is sourced from PubChem (CID 101418081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).