methoxy-dimethyl-[(1S)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane

C18H31BO3Si — CID 154719088

IUPACmethoxy-dimethyl-[(1S)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane
SMILESCO[Si](C)(C)[C@H](CCc1ccccc1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H31BO3Si/c1-17(2)18(3,4)22-19(21-17)16(23(6,7)20-5)14-13-15-11-9-8-10-12-15/h8-12,16H,13-14H2,1-7H3/t16-/m1/s1
InChIKeyATVBHZVISXZOIJ-MRXNPFEDSA-N
MW334.34 g/mol
LogP4.47
Rot. Bonds6

About methoxy-dimethyl-[(1S)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane

methoxy-dimethyl-[(1S)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane (PubChem CID 154719088) has the molecular formula C18H31BO3Si and a molecular weight of 334.34 g/mol. Its IUPAC name is methoxy-dimethyl-[(1S)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane.

Molecular Properties

Compound Namemethoxy-dimethyl-[(1S)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane
PubChem CID154719088
Molecular FormulaC18H31BO3Si
Molecular Weight334.34 g/mol
Exact Mass334.21
IUPAC Namemethoxy-dimethyl-[(1S)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane
SMILESCO[Si](C)(C)[C@H](CCc1ccccc1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H31BO3Si/c1-17(2)18(3,4)22-19(21-17)16(23(6,7)20-5)14-13-15-11-9-8-10-12-15/h8-12,16H,13-14H2,1-7H3/t16-/m1/s1
InChIKeyATVBHZVISXZOIJ-MRXNPFEDSA-N
XLogP4.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine
CID 142595987
(1S)-4-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine
CID 168919733
4,4,5,5-tetramethyl-2-[(3R)-5-phenylpent-1-en-3-yl]-1,3,2-dioxaborolane
CID 102582096
4,4,5,5-tetramethyl-2-(5-phenylpentan-2-yl)-1,3,2-dioxaborolane
CID 165350697
[(1R)-4-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]azanium
CID 168920040
4,4,5,5-tetramethyl-2-[(2R)-4-(4-phenylphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-yl]-1,3,2-dioxaborolane
CID 165416659
(2S)-4-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]butanenitrile
CID 146168343
[(1R)-2-(3-methoxyphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-dimethyl-phenylsilane
CID 71561091
4,4,5,5-tetramethyl-2-[4-(2-phenylethyl)phenyl]-1,3,2-dioxaborolane
CID 102447774
4,4,5,5-tetramethyl-2-[(E,3S)-5,6,6-trimethyl-1-phenylhept-4-en-3-yl]-1,3,2-dioxaborolane
CID 122232202
[(1R)-2-(2-methoxyphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-dimethyl-phenylsilane
CID 135063391
4,4,5,5-tetramethyl-2-(3-methyl-1-phenylbutan-2-yl)-1,3,2-dioxaborolane
CID 102424463

Frequently Asked Questions

What is the IUPAC name of methoxy-dimethyl-[(1S)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane?
The IUPAC name of methoxy-dimethyl-[(1S)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane (CID 154719088) is methoxy-dimethyl-[(1S)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane.
What is the SMILES notation for methoxy-dimethyl-[(1S)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane?
The canonical SMILES for methoxy-dimethyl-[(1S)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane is CO[Si](C)(C)[C@H](CCc1ccccc1)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of methoxy-dimethyl-[(1S)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane?
The InChIKey is ATVBHZVISXZOIJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H31BO3Si/c1-17(2)18(3,4)22-19(21-17)16(23(6,7)20-5)14-13-15-11-9-8-10-12-15/h8-12,16H,13-14H2,1-7H3/t16-/m1/s1.
What are the key properties of methoxy-dimethyl-[(1S)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane?
methoxy-dimethyl-[(1S)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane has a molecular weight of 334.34 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-dimethyl-[(1S)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane is sourced from PubChem (CID 154719088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).