tert-butyl-[(3R,4R)-3-methyl-4-[(2S)-pyrrolidin-2-yl]hex-5-enoxy]-diphenylsilane

C27H39NOSi — CID 154712403

IUPACtert-butyl-[(3R,4R)-3-methyl-4-[(2S)-pyrrolidin-2-yl]hex-5-enoxy]-diphenylsilane
SMILESC=C[C@H]([C@H](C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1CCCN1
InChIInChI=1S/C27H39NOSi/c1-6-25(26-18-13-20-28-26)22(2)19-21-29-30(27(3,4)5,23-14-9-7-10-15-23)24-16-11-8-12-17-24/h6-12,14-17,22,25-26,28H,1,13,18-21H2,2-5H3/t22-,25-,26+/m1/s1
InChIKeyCPHDJTJCTYPRDA-RCXJIHSJSA-N
MW421.70 g/mol
LogP5.14
Rot. Bonds9

About tert-butyl-[(3R,4R)-3-methyl-4-[(2S)-pyrrolidin-2-yl]hex-5-enoxy]-diphenylsilane

tert-butyl-[(3R,4R)-3-methyl-4-[(2S)-pyrrolidin-2-yl]hex-5-enoxy]-diphenylsilane (PubChem CID 154712403) has the molecular formula C27H39NOSi and a molecular weight of 421.70 g/mol. Its IUPAC name is tert-butyl-[(3R,4R)-3-methyl-4-[(2S)-pyrrolidin-2-yl]hex-5-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,4R)-3-methyl-4-[(2S)-pyrrolidin-2-yl]hex-5-enoxy]-diphenylsilane
PubChem CID154712403
Molecular FormulaC27H39NOSi
Molecular Weight421.70 g/mol
Exact Mass421.28
IUPAC Nametert-butyl-[(3R,4R)-3-methyl-4-[(2S)-pyrrolidin-2-yl]hex-5-enoxy]-diphenylsilane
SMILESC=C[C@H]([C@H](C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1CCCN1
InChIInChI=1S/C27H39NOSi/c1-6-25(26-18-13-20-28-26)22(2)19-21-29-30(27(3,4)5,23-14-9-7-10-15-23)24-16-11-8-12-17-24/h6-12,14-17,22,25-26,28H,1,13,18-21H2,2-5H3/t22-,25-,26+/m1/s1
InChIKeyCPHDJTJCTYPRDA-RCXJIHSJSA-N
XLogP5.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.70
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(S)-2-(((Tert-butyldiphenylsilyl)oxy)methyl)pyrrolidine
CID 11234959
C21H29NOSi
CID 72762622
tert-butyl-[(3S)-3-[(4R,5S,7R)-7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-azaspiro[4.5]decan-4-yl]butoxy]-diphenylsilane
CID 17753385
triphenyl-[7-[(2S)-pyrrolidin-2-yl]tridecan-7-yloxy]silane
CID 24741040
tert-butyl-dimethyl-[[(2S,3R)-3-phenylpyrrolidin-2-yl]methoxy]silane
CID 46177411
[2,6-dimethyl-4-[(2S)-pyrrolidin-2-yl]heptan-4-yl]oxy-triphenylsilane
CID 102431214
(2S,5S)-2-phenyl-5-(((triisopropylsilyl)oxy)methyl)pyrrolidine
CID 131632175
(2R,5S)-2-phenyl-5-(((triisopropylsilyl)oxy)methyl)pyrrolidine
CID 131632183
[(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methoxy-tert-butyl-diphenylsilane
CID 134864911
[(3S,6S)-6-[(2R)-but-3-en-2-yl]piperidin-3-yl]methoxy-tert-butyl-diphenylsilane
CID 138981412
tert-butyl-[(3R,4R)-3-methyl-4-[(2S)-pyrrolidin-2-yl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-diphenylsilane
CID 154712402
tert-butyl-dimethyl-[[(3S,4S)-4-phenylpyrrolidin-3-yl]methoxy]silane
CID 20672435

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R,4R)-3-methyl-4-[(2S)-pyrrolidin-2-yl]hex-5-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(3R,4R)-3-methyl-4-[(2S)-pyrrolidin-2-yl]hex-5-enoxy]-diphenylsilane (CID 154712403) is tert-butyl-[(3R,4R)-3-methyl-4-[(2S)-pyrrolidin-2-yl]hex-5-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(3R,4R)-3-methyl-4-[(2S)-pyrrolidin-2-yl]hex-5-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(3R,4R)-3-methyl-4-[(2S)-pyrrolidin-2-yl]hex-5-enoxy]-diphenylsilane is C=C[C@H]([C@H](C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1CCCN1.
What is the InChIKey of tert-butyl-[(3R,4R)-3-methyl-4-[(2S)-pyrrolidin-2-yl]hex-5-enoxy]-diphenylsilane?
The InChIKey is CPHDJTJCTYPRDA-RCXJIHSJSA-N. The full InChI is InChI=1S/C27H39NOSi/c1-6-25(26-18-13-20-28-26)22(2)19-21-29-30(27(3,4)5,23-14-9-7-10-15-23)24-16-11-8-12-17-24/h6-12,14-17,22,25-26,28H,1,13,18-21H2,2-5H3/t22-,25-,26+/m1/s1.
What are the key properties of tert-butyl-[(3R,4R)-3-methyl-4-[(2S)-pyrrolidin-2-yl]hex-5-enoxy]-diphenylsilane?
tert-butyl-[(3R,4R)-3-methyl-4-[(2S)-pyrrolidin-2-yl]hex-5-enoxy]-diphenylsilane has a molecular weight of 421.70 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,4R)-3-methyl-4-[(2S)-pyrrolidin-2-yl]hex-5-enoxy]-diphenylsilane is sourced from PubChem (CID 154712403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).