tert-butyl-[(2S)-1-[(1R,2R)-2-ethenylcyclopropyl]propan-2-yl]oxy-diphenylsilane

C24H32OSi — CID 11175995

IUPACtert-butyl-[(2S)-1-[(1R,2R)-2-ethenylcyclopropyl]propan-2-yl]oxy-diphenylsilane
SMILESC=C[C@H]1C[C@@H]1C[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H32OSi/c1-6-20-18-21(20)17-19(2)25-26(24(3,4)5,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h6-16,19-21H,1,17-18H2,2-5H3/t19-,20-,21-/m0/s1
InChIKeyJABSQUSOVDIMOU-ACRUOGEOSA-N
MW364.61 g/mol
LogP5.16
Rot. Bonds7

About tert-butyl-[(2S)-1-[(1R,2R)-2-ethenylcyclopropyl]propan-2-yl]oxy-diphenylsilane

tert-butyl-[(2S)-1-[(1R,2R)-2-ethenylcyclopropyl]propan-2-yl]oxy-diphenylsilane (PubChem CID 11175995) has the molecular formula C24H32OSi and a molecular weight of 364.61 g/mol. Its IUPAC name is tert-butyl-[(2S)-1-[(1R,2R)-2-ethenylcyclopropyl]propan-2-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-1-[(1R,2R)-2-ethenylcyclopropyl]propan-2-yl]oxy-diphenylsilane
PubChem CID11175995
Molecular FormulaC24H32OSi
Molecular Weight364.61 g/mol
Exact Mass364.22
IUPAC Nametert-butyl-[(2S)-1-[(1R,2R)-2-ethenylcyclopropyl]propan-2-yl]oxy-diphenylsilane
SMILESC=C[C@H]1C[C@@H]1C[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H32OSi/c1-6-20-18-21(20)17-19(2)25-26(24(3,4)5,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h6-16,19-21H,1,17-18H2,2-5H3/t19-,20-,21-/m0/s1
InChIKeyJABSQUSOVDIMOU-ACRUOGEOSA-N
XLogP5.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.61
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanal
CID 10936306
tert-butyl-diphenyl-[(2S)-undec-10-en-2-yl]oxysilane
CID 11988597
cis-(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
CID 162119958
prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate
CID 11079127
(3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol
CID 56971432
tert-butyl-[(2S)-pent-4-yn-2-yl]oxy-diphenylsilane
CID 59466777
(4S)-4-[tert-butyl(diphenyl)silyl]oxypentane-1-sulfonic acid
CID 172708913
tert-butyl-[(2R)-1-[(4S,5R)-4-methyl-1,3-oxazolidin-5-yl]propan-2-yl]oxy-diphenylsilane
CID 152696618
(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal
CID 24755231
(10R)-10-[tert-butyl(diphenyl)silyl]oxyundec-1-en-6-ol
CID 134834787
(2S,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-ol
CID 10992951
(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
CID 102030687

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-1-[(1R,2R)-2-ethenylcyclopropyl]propan-2-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(2S)-1-[(1R,2R)-2-ethenylcyclopropyl]propan-2-yl]oxy-diphenylsilane (CID 11175995) is tert-butyl-[(2S)-1-[(1R,2R)-2-ethenylcyclopropyl]propan-2-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2S)-1-[(1R,2R)-2-ethenylcyclopropyl]propan-2-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(2S)-1-[(1R,2R)-2-ethenylcyclopropyl]propan-2-yl]oxy-diphenylsilane is C=C[C@H]1C[C@@H]1C[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S)-1-[(1R,2R)-2-ethenylcyclopropyl]propan-2-yl]oxy-diphenylsilane?
The InChIKey is JABSQUSOVDIMOU-ACRUOGEOSA-N. The full InChI is InChI=1S/C24H32OSi/c1-6-20-18-21(20)17-19(2)25-26(24(3,4)5,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h6-16,19-21H,1,17-18H2,2-5H3/t19-,20-,21-/m0/s1.
What are the key properties of tert-butyl-[(2S)-1-[(1R,2R)-2-ethenylcyclopropyl]propan-2-yl]oxy-diphenylsilane?
tert-butyl-[(2S)-1-[(1R,2R)-2-ethenylcyclopropyl]propan-2-yl]oxy-diphenylsilane has a molecular weight of 364.61 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-1-[(1R,2R)-2-ethenylcyclopropyl]propan-2-yl]oxy-diphenylsilane is sourced from PubChem (CID 11175995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).