[(2S,4R)-4-(1,3,2-benzodioxaborol-2-yl)pentan-2-yl]-dimethyl-phenylsilane

C19H25BO2Si — CID 10471481

IUPAC[(2S,4R)-4-(1,3,2-benzodioxaborol-2-yl)pentan-2-yl]-dimethyl-phenylsilane
SMILESC[C@H](C[C@H](C)[Si](C)(C)c1ccccc1)B1Oc2ccccc2O1
InChIInChI=1S/C19H25BO2Si/c1-15(20-21-18-12-8-9-13-19(18)22-20)14-16(2)23(3,4)17-10-6-5-7-11-17/h5-13,15-16H,14H2,1-4H3/t15-,16+/m1/s1
InChIKeyWRRSLDIMONXCMB-CVEARBPZSA-N
MW324.31 g/mol
LogP4.73
Rot. Bonds5

About [(2S,4R)-4-(1,3,2-benzodioxaborol-2-yl)pentan-2-yl]-dimethyl-phenylsilane

[(2S,4R)-4-(1,3,2-benzodioxaborol-2-yl)pentan-2-yl]-dimethyl-phenylsilane (PubChem CID 10471481) has the molecular formula C19H25BO2Si and a molecular weight of 324.31 g/mol. Its IUPAC name is [(2S,4R)-4-(1,3,2-benzodioxaborol-2-yl)pentan-2-yl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[(2S,4R)-4-(1,3,2-benzodioxaborol-2-yl)pentan-2-yl]-dimethyl-phenylsilane
PubChem CID10471481
Molecular FormulaC19H25BO2Si
Molecular Weight324.31 g/mol
Exact Mass324.17
IUPAC Name[(2S,4R)-4-(1,3,2-benzodioxaborol-2-yl)pentan-2-yl]-dimethyl-phenylsilane
SMILESC[C@H](C[C@H](C)[Si](C)(C)c1ccccc1)B1Oc2ccccc2O1
InChIInChI=1S/C19H25BO2Si/c1-15(20-21-18-12-8-9-13-19(18)22-20)14-16(2)23(3,4)17-10-6-5-7-11-17/h5-13,15-16H,14H2,1-4H3/t15-,16+/m1/s1
InChIKeyWRRSLDIMONXCMB-CVEARBPZSA-N
XLogP4.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butan-2-yl-dimethyl-phenylsilane
CID 102005826
dimethyl-[(2S)-pent-4-en-2-yl]-phenylsilane
CID 134970098
[(2S,4R)-5-(9-borabicyclo[3.3.1]nonan-9-yl)-4-methylpentan-2-yl]-dimethyl-phenylsilane
CID 10315212
2-(1-bromoethyl)-1,3,2-benzodioxaborole
CID 14922654
bis[dimethyl(phenyl)silyl]methyl-dimethyl-phenylsilane
CID 11037167
dimethyl 2-[(1R,3S)-1,3-bis[dimethyl(phenyl)silyl]butyl]propanedioate
CID 10575797
dimethyl-[(Z)-6-methylhept-2-en-4-yl]-phenylsilane
CID 15353782
dibromomethyl-dimethyl-phenylsilane
CID 11358731
2-propan-2-yl-1,3,2-benzodioxaborole;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane
CID 170582116
(2S,3S)-3-[dimethyl(phenyl)silyl]-4-diphenylphosphorylbutan-2-ol
CID 102599598
N,N-dibenzyl-2-[dimethyl-(4-methylphenyl)silyl]propan-1-amine
CID 176893859
[(2R)-but-3-en-2-yl]-dimethyl-phenylsilane
CID 134947847

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-(1,3,2-benzodioxaborol-2-yl)pentan-2-yl]-dimethyl-phenylsilane?
The IUPAC name of [(2S,4R)-4-(1,3,2-benzodioxaborol-2-yl)pentan-2-yl]-dimethyl-phenylsilane (CID 10471481) is [(2S,4R)-4-(1,3,2-benzodioxaborol-2-yl)pentan-2-yl]-dimethyl-phenylsilane.
What is the SMILES notation for [(2S,4R)-4-(1,3,2-benzodioxaborol-2-yl)pentan-2-yl]-dimethyl-phenylsilane?
The canonical SMILES for [(2S,4R)-4-(1,3,2-benzodioxaborol-2-yl)pentan-2-yl]-dimethyl-phenylsilane is C[C@H](C[C@H](C)[Si](C)(C)c1ccccc1)B1Oc2ccccc2O1.
What is the InChIKey of [(2S,4R)-4-(1,3,2-benzodioxaborol-2-yl)pentan-2-yl]-dimethyl-phenylsilane?
The InChIKey is WRRSLDIMONXCMB-CVEARBPZSA-N. The full InChI is InChI=1S/C19H25BO2Si/c1-15(20-21-18-12-8-9-13-19(18)22-20)14-16(2)23(3,4)17-10-6-5-7-11-17/h5-13,15-16H,14H2,1-4H3/t15-,16+/m1/s1.
What are the key properties of [(2S,4R)-4-(1,3,2-benzodioxaborol-2-yl)pentan-2-yl]-dimethyl-phenylsilane?
[(2S,4R)-4-(1,3,2-benzodioxaborol-2-yl)pentan-2-yl]-dimethyl-phenylsilane has a molecular weight of 324.31 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-(1,3,2-benzodioxaborol-2-yl)pentan-2-yl]-dimethyl-phenylsilane is sourced from PubChem (CID 10471481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).