tert-butyl-[[(4R)-2,2-dimethyl-4H-1,3-benzodioxin-4-yl]methoxy]-dimethylsilane

C17H28O3Si — CID 140749012

IUPACtert-butyl-[[(4R)-2,2-dimethyl-4H-1,3-benzodioxin-4-yl]methoxy]-dimethylsilane
SMILESCC1(C)Oc2ccccc2[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H28O3Si/c1-16(2,3)21(6,7)18-12-15-13-10-8-9-11-14(13)19-17(4,5)20-15/h8-11,15H,12H2,1-7H3/t15-/m0/s1
InChIKeyAGBXKICFPLDRIA-HNNXBMFYSA-N
MW308.49 g/mol
LogP4.89
Rot. Bonds3

About tert-butyl-[[(4R)-2,2-dimethyl-4H-1,3-benzodioxin-4-yl]methoxy]-dimethylsilane

tert-butyl-[[(4R)-2,2-dimethyl-4H-1,3-benzodioxin-4-yl]methoxy]-dimethylsilane (PubChem CID 140749012) has the molecular formula C17H28O3Si and a molecular weight of 308.49 g/mol. Its IUPAC name is tert-butyl-[[(4R)-2,2-dimethyl-4H-1,3-benzodioxin-4-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(4R)-2,2-dimethyl-4H-1,3-benzodioxin-4-yl]methoxy]-dimethylsilane
PubChem CID140749012
Molecular FormulaC17H28O3Si
Molecular Weight308.49 g/mol
Exact Mass308.18
IUPAC Nametert-butyl-[[(4R)-2,2-dimethyl-4H-1,3-benzodioxin-4-yl]methoxy]-dimethylsilane
SMILESCC1(C)Oc2ccccc2[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H28O3Si/c1-16(2,3)21(6,7)18-12-15-13-10-8-9-11-14(13)19-17(4,5)20-15/h8-11,15H,12H2,1-7H3/t15-/m0/s1
InChIKeyAGBXKICFPLDRIA-HNNXBMFYSA-N
XLogP4.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.89
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

[(4S)-2,2-dimethyl-4H-1,3-benzodioxin-4-yl]methylsulfamic acid
CID 134279582
tert-butyl-[[(2S,5R)-3,5-dimethyl-5-phenyl-2H-furan-2-yl]methoxy]-dimethylsilane
CID 134944366
2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenyl-3,4-dihydrochromene-3,4-diol
CID 175996715
(S)-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol
CID 101493912
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
cis-(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylcyclopropane-1-carbonitrile
CID 11781176
bis(spiro[4H-1,3-benzodioxine-2,1'-cyclopentane]-4-ylmethyl) sulfate
CID 134279644
tert-butyl-[[(6R)-2,2-dimethyl-4-methylidene-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy]-dimethylsilane
CID 135045767
(2R)-2-[benzyl(hydroxy)amino]-2-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetonitrile
CID 10501525
[(4R,5S)-5-[(3aR,4R,7aR)-2,2-dimethyl-6-phenylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane
CID 102396780
tert-butyl-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 10105989
[(2S,5R)-5-but-3-enyl-3,5-dimethyl-2H-furan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134931804

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(4R)-2,2-dimethyl-4H-1,3-benzodioxin-4-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(4R)-2,2-dimethyl-4H-1,3-benzodioxin-4-yl]methoxy]-dimethylsilane (CID 140749012) is tert-butyl-[[(4R)-2,2-dimethyl-4H-1,3-benzodioxin-4-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(4R)-2,2-dimethyl-4H-1,3-benzodioxin-4-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(4R)-2,2-dimethyl-4H-1,3-benzodioxin-4-yl]methoxy]-dimethylsilane is CC1(C)Oc2ccccc2[C@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[[(4R)-2,2-dimethyl-4H-1,3-benzodioxin-4-yl]methoxy]-dimethylsilane?
The InChIKey is AGBXKICFPLDRIA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28O3Si/c1-16(2,3)21(6,7)18-12-15-13-10-8-9-11-14(13)19-17(4,5)20-15/h8-11,15H,12H2,1-7H3/t15-/m0/s1.
What are the key properties of tert-butyl-[[(4R)-2,2-dimethyl-4H-1,3-benzodioxin-4-yl]methoxy]-dimethylsilane?
tert-butyl-[[(4R)-2,2-dimethyl-4H-1,3-benzodioxin-4-yl]methoxy]-dimethylsilane has a molecular weight of 308.49 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(4R)-2,2-dimethyl-4H-1,3-benzodioxin-4-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 140749012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).