[(1S,4S)-4-azido-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxy-tert-butyl-diphenylsilane

C29H33N3O2Si — CID 10552846

IUPAC[(1S,4S)-4-azido-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](O[C@H]1C[C@H](N=[N+]=[N-])C=C1COCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H33N3O2Si/c1-29(2,3)35(26-15-9-5-10-16-26,27-17-11-6-12-18-27)34-28-20-25(31-32-30)19-24(28)22-33-21-23-13-7-4-8-14-23/h4-19,25,28H,20-22H2,1-3H3/t25-,28+/m1/s1
InChIKeyOOPPARFLNGWVGZ-NAKRPHOHSA-N
MW483.69 g/mol
LogP6.16
Rot. Bonds9

About [(1S,4S)-4-azido-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxy-tert-butyl-diphenylsilane

[(1S,4S)-4-azido-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxy-tert-butyl-diphenylsilane (PubChem CID 10552846) has the molecular formula C29H33N3O2Si and a molecular weight of 483.69 g/mol. Its IUPAC name is [(1S,4S)-4-azido-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(1S,4S)-4-azido-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxy-tert-butyl-diphenylsilane
PubChem CID10552846
Molecular FormulaC29H33N3O2Si
Molecular Weight483.69 g/mol
Exact Mass483.23
IUPAC Name[(1S,4S)-4-azido-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](O[C@H]1C[C@H](N=[N+]=[N-])C=C1COCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H33N3O2Si/c1-29(2,3)35(26-15-9-5-10-16-26,27-17-11-6-12-18-27)34-28-20-25(31-32-30)19-24(28)22-33-21-23-13-7-4-8-14-23/h4-19,25,28H,20-22H2,1-3H3/t25-,28+/m1/s1
InChIKeyOOPPARFLNGWVGZ-NAKRPHOHSA-N
XLogP6.16
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.69
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-diphenyl-[(1S)-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxysilane
CID 15539517
(2R,3R,4R,5R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 102322669
(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-ol
CID 52918394
(3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(phenylmethoxymethyl)oxolane-2,4-diol
CID 101473888
(3S,4R)-4-azido-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol
CID 10738751
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl acetate
CID 101206595
[(3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methoxy-tert-butyl-diphenylsilane
CID 70963461
(3R,4S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol
CID 171122175
(3-azidocyclobutyl)methoxymethylbenzene
CID 86035077
[(2R,3S,4R,5R)-5-azido-6-fluoro-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 11802442
[(2S,3S)-3-azido-2-phenyl-4-phenylmethoxybutoxy]-tert-butyl-diphenylsilane
CID 101040416
tert-butyl-[[(1R,3R,4R,5R,7R)-4-methyl-3-(phenylmethoxymethyl)-2,6-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-diphenylsilane
CID 45379868

Frequently Asked Questions

What is the IUPAC name of [(1S,4S)-4-azido-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxy-tert-butyl-diphenylsilane?
The IUPAC name of [(1S,4S)-4-azido-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxy-tert-butyl-diphenylsilane (CID 10552846) is [(1S,4S)-4-azido-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(1S,4S)-4-azido-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(1S,4S)-4-azido-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](O[C@H]1C[C@H](N=[N+]=[N-])C=C1COCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1S,4S)-4-azido-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxy-tert-butyl-diphenylsilane?
The InChIKey is OOPPARFLNGWVGZ-NAKRPHOHSA-N. The full InChI is InChI=1S/C29H33N3O2Si/c1-29(2,3)35(26-15-9-5-10-16-26,27-17-11-6-12-18-27)34-28-20-25(31-32-30)19-24(28)22-33-21-23-13-7-4-8-14-23/h4-19,25,28H,20-22H2,1-3H3/t25-,28+/m1/s1.
What are the key properties of [(1S,4S)-4-azido-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxy-tert-butyl-diphenylsilane?
[(1S,4S)-4-azido-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxy-tert-butyl-diphenylsilane has a molecular weight of 483.69 g/mol, XLogP of 6.16, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4S)-4-azido-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 10552846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).