tert-butyl-dimethyl-[(1S)-1-[(1R,2S)-1-methyl-2-phenylcyclopropyl]propoxy]silane

C19H32OSi — CID 101214228

IUPACtert-butyl-dimethyl-[(1S)-1-[(1R,2S)-1-methyl-2-phenylcyclopropyl]propoxy]silane
SMILESCC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)C[C@H]1c1ccccc1
InChIInChI=1S/C19H32OSi/c1-8-17(20-21(6,7)18(2,3)4)19(5)14-16(19)15-12-10-9-11-13-15/h9-13,16-17H,8,14H2,1-7H3/t16-,17-,19+/m0/s1
InChIKeyPDNDEDFDFGYNIR-JENIJYKNSA-N
MW304.55 g/mol
LogP5.98
Rot. Bonds5

About tert-butyl-dimethyl-[(1S)-1-[(1R,2S)-1-methyl-2-phenylcyclopropyl]propoxy]silane

tert-butyl-dimethyl-[(1S)-1-[(1R,2S)-1-methyl-2-phenylcyclopropyl]propoxy]silane (PubChem CID 101214228) has the molecular formula C19H32OSi and a molecular weight of 304.55 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1S)-1-[(1R,2S)-1-methyl-2-phenylcyclopropyl]propoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1S)-1-[(1R,2S)-1-methyl-2-phenylcyclopropyl]propoxy]silane
PubChem CID101214228
Molecular FormulaC19H32OSi
Molecular Weight304.55 g/mol
Exact Mass304.22
IUPAC Nametert-butyl-dimethyl-[(1S)-1-[(1R,2S)-1-methyl-2-phenylcyclopropyl]propoxy]silane
SMILESCC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)C[C@H]1c1ccccc1
InChIInChI=1S/C19H32OSi/c1-8-17(20-21(6,7)18(2,3)4)19(5)14-16(19)15-12-10-9-11-13-15/h9-13,16-17H,8,14H2,1-7H3/t16-,17-,19+/m0/s1
InChIKeyPDNDEDFDFGYNIR-JENIJYKNSA-N
XLogP5.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.55
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[1-methyl-2-[(1R)-1-phenylpropyl]cyclopropyl]oxysilane
CID 10902806
(1R,2R,3S)-2-[(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-3-phenylcyclopropane-1-carboxylic acid
CID 10742761
tert-butyl-dimethyl-[(3,6,6-trimethyl-4-phenyl-4,5-dihydrooxazin-2-ium-2-yl)oxy]silane
CID 11465844
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354
tert-butyl-dimethyl-[(S)-phenyl-[(2R,3S)-3-phenyloxiran-2-yl]methoxy]silane
CID 11078347
tert-butyl-dimethyl-(5-phenylcyclohexen-1-yl)oxysilane
CID 11392094
3-[2-[5-[1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 163053916
tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethoxy]silane
CID 87356118
tert-butyl-[(E,1R)-3-iodo-1-[(4S)-4-methyl-2-phenyl-1,3-dioxolan-4-yl]prop-2-enoxy]-dimethylsilane
CID 50992961
(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-4-en-1-ol
CID 101421938
(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]propan-1-ol
CID 122220290
tert-butyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 101218621

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1S)-1-[(1R,2S)-1-methyl-2-phenylcyclopropyl]propoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(1S)-1-[(1R,2S)-1-methyl-2-phenylcyclopropyl]propoxy]silane (CID 101214228) is tert-butyl-dimethyl-[(1S)-1-[(1R,2S)-1-methyl-2-phenylcyclopropyl]propoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(1S)-1-[(1R,2S)-1-methyl-2-phenylcyclopropyl]propoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(1S)-1-[(1R,2S)-1-methyl-2-phenylcyclopropyl]propoxy]silane is CC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)C[C@H]1c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[(1S)-1-[(1R,2S)-1-methyl-2-phenylcyclopropyl]propoxy]silane?
The InChIKey is PDNDEDFDFGYNIR-JENIJYKNSA-N. The full InChI is InChI=1S/C19H32OSi/c1-8-17(20-21(6,7)18(2,3)4)19(5)14-16(19)15-12-10-9-11-13-15/h9-13,16-17H,8,14H2,1-7H3/t16-,17-,19+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(1S)-1-[(1R,2S)-1-methyl-2-phenylcyclopropyl]propoxy]silane?
tert-butyl-dimethyl-[(1S)-1-[(1R,2S)-1-methyl-2-phenylcyclopropyl]propoxy]silane has a molecular weight of 304.55 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1S)-1-[(1R,2S)-1-methyl-2-phenylcyclopropyl]propoxy]silane is sourced from PubChem (CID 101214228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).