tert-butyl-[2-[(4R,5S,7R)-4-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-6-azaspiro[4.5]decan-7-yl]ethoxy]-diphenylsilane

C37H51NO3Si — CID 11456044

IUPACtert-butyl-[2-[(4R,5S,7R)-4-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-6-azaspiro[4.5]decan-7-yl]ethoxy]-diphenylsilane
SMILESCOc1ccc(OC[C@H](C)[C@H]2CCC[C@]23CCC[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N3)cc1
InChIInChI=1S/C37H51NO3Si/c1-29(28-40-32-22-20-31(39-5)21-23-32)35-19-13-26-37(35)25-12-14-30(38-37)24-27-41-42(36(2,3)4,33-15-8-6-9-16-33)34-17-10-7-11-18-34/h6-11,15-18,20-23,29-30,35,38H,12-14,19,24-28H2,1-5H3/t29-,30+,35+,37+/m0/s1
InChIKeyRTAKGIQASKDXCG-KXTVRRJYSA-N
MW585.91 g/mol
LogP7.36
Rot. Bonds11

About tert-butyl-[2-[(4R,5S,7R)-4-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-6-azaspiro[4.5]decan-7-yl]ethoxy]-diphenylsilane

tert-butyl-[2-[(4R,5S,7R)-4-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-6-azaspiro[4.5]decan-7-yl]ethoxy]-diphenylsilane (PubChem CID 11456044) has the molecular formula C37H51NO3Si and a molecular weight of 585.91 g/mol. Its IUPAC name is tert-butyl-[2-[(4R,5S,7R)-4-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-6-azaspiro[4.5]decan-7-yl]ethoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(4R,5S,7R)-4-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-6-azaspiro[4.5]decan-7-yl]ethoxy]-diphenylsilane
PubChem CID11456044
Molecular FormulaC37H51NO3Si
Molecular Weight585.91 g/mol
Exact Mass585.36
IUPAC Nametert-butyl-[2-[(4R,5S,7R)-4-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-6-azaspiro[4.5]decan-7-yl]ethoxy]-diphenylsilane
SMILESCOc1ccc(OC[C@H](C)[C@H]2CCC[C@]23CCC[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N3)cc1
InChIInChI=1S/C37H51NO3Si/c1-29(28-40-32-22-20-31(39-5)21-23-32)35-19-13-26-37(35)25-12-14-30(38-37)24-27-41-42(36(2,3)4,33-15-8-6-9-16-33)34-17-10-7-11-18-34/h6-11,15-18,20-23,29-30,35,38H,12-14,19,24-28H2,1-5H3/t29-,30+,35+,37+/m0/s1
InChIKeyRTAKGIQASKDXCG-KXTVRRJYSA-N
XLogP7.36
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.91
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R,4R,7aR)-1-[(2R)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-7a-methyl-1,2,4,5,6,7-hexahydroinden-4-ol
CID 10322138
ethyl 4-[(4S,5S,7R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azaspiro[4.5]decan-7-yl]-2-cyanobutanoate
CID 11027998
(2R,4aR,6S,9Z,10aS)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(4-methoxyphenyl)-4,4a,8,10a-tetrahydro-[1,3]dioxino[5,4-b]oxocin-7-one
CID 52937203
4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 23254557
2-[(1R,2S,5R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-[(4-methoxyphenyl)methoxy]cyclopent-3-en-1-yl]acetaldehyde
CID 101412798
(3S,4R)-3-amino-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-(4-methoxyphenyl)azetidin-2-one
CID 57089287
[(2S)-4-[(2R,6S)-6-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-[(4-methoxyphenyl)methoxy]oxan-2-yl]-2-hydroxybutyl] 2,2-dimethylpropanoate
CID 11445384
2-(4-bromophenoxy)ethoxy-tert-butyl-diphenylsilane
CID 91800510
[(3R)-3-[(1R,3aR,4S,7aR)-7a-methyl-4-phenylmethoxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]butoxy]-tert-butyl-diphenylsilane
CID 10370431
[(3S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-3-methoxybutoxy]-tert-butyl-diphenylsilane
CID 101226506
tert-butyl-[8-(4-methoxyphenyl)oct-7-ynoxy]-diphenylsilane
CID 10412453
3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]propan-1-ol
CID 140750443

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(4R,5S,7R)-4-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-6-azaspiro[4.5]decan-7-yl]ethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[2-[(4R,5S,7R)-4-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-6-azaspiro[4.5]decan-7-yl]ethoxy]-diphenylsilane (CID 11456044) is tert-butyl-[2-[(4R,5S,7R)-4-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-6-azaspiro[4.5]decan-7-yl]ethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[2-[(4R,5S,7R)-4-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-6-azaspiro[4.5]decan-7-yl]ethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[2-[(4R,5S,7R)-4-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-6-azaspiro[4.5]decan-7-yl]ethoxy]-diphenylsilane is COc1ccc(OC[C@H](C)[C@H]2CCC[C@]23CCC[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N3)cc1.
What is the InChIKey of tert-butyl-[2-[(4R,5S,7R)-4-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-6-azaspiro[4.5]decan-7-yl]ethoxy]-diphenylsilane?
The InChIKey is RTAKGIQASKDXCG-KXTVRRJYSA-N. The full InChI is InChI=1S/C37H51NO3Si/c1-29(28-40-32-22-20-31(39-5)21-23-32)35-19-13-26-37(35)25-12-14-30(38-37)24-27-41-42(36(2,3)4,33-15-8-6-9-16-33)34-17-10-7-11-18-34/h6-11,15-18,20-23,29-30,35,38H,12-14,19,24-28H2,1-5H3/t29-,30+,35+,37+/m0/s1.
What are the key properties of tert-butyl-[2-[(4R,5S,7R)-4-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-6-azaspiro[4.5]decan-7-yl]ethoxy]-diphenylsilane?
tert-butyl-[2-[(4R,5S,7R)-4-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-6-azaspiro[4.5]decan-7-yl]ethoxy]-diphenylsilane has a molecular weight of 585.91 g/mol, XLogP of 7.36, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(4R,5S,7R)-4-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-6-azaspiro[4.5]decan-7-yl]ethoxy]-diphenylsilane is sourced from PubChem (CID 11456044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).