[(4S,5S)-4,5-bis(azidomethyl)-2-methyl-1,3-dioxolan-2-yl]methoxy-tert-butyl-diphenylsilane

C23H30N6O3Si — CID 10050205

IUPAC[(4S,5S)-4,5-bis(azidomethyl)-2-methyl-1,3-dioxolan-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H](CN=[N+]=[N-])[C@H](CN=[N+]=[N-])O1
InChIInChI=1S/C23H30N6O3Si/c1-22(2,3)33(18-11-7-5-8-12-18,19-13-9-6-10-14-19)30-17-23(4)31-20(15-26-28-24)21(32-23)16-27-29-25/h5-14,20-21H,15-17H2,1-4H3/t20-,21-/m0/s1
InChIKeySHHBKDPAVVWRFA-SFTDATJTSA-N
MW466.62 g/mol
LogP4.68
Rot. Bonds9

About [(4S,5S)-4,5-bis(azidomethyl)-2-methyl-1,3-dioxolan-2-yl]methoxy-tert-butyl-diphenylsilane

[(4S,5S)-4,5-bis(azidomethyl)-2-methyl-1,3-dioxolan-2-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 10050205) has the molecular formula C23H30N6O3Si and a molecular weight of 466.62 g/mol. Its IUPAC name is [(4S,5S)-4,5-bis(azidomethyl)-2-methyl-1,3-dioxolan-2-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(4S,5S)-4,5-bis(azidomethyl)-2-methyl-1,3-dioxolan-2-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID10050205
Molecular FormulaC23H30N6O3Si
Molecular Weight466.62 g/mol
Exact Mass466.21
IUPAC Name[(4S,5S)-4,5-bis(azidomethyl)-2-methyl-1,3-dioxolan-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H](CN=[N+]=[N-])[C@H](CN=[N+]=[N-])O1
InChIInChI=1S/C23H30N6O3Si/c1-22(2,3)33(18-11-7-5-8-12-18,19-13-9-6-10-14-19)30-17-23(4)31-20(15-26-28-24)21(32-23)16-27-29-25/h5-14,20-21H,15-17H2,1-4H3/t20-,21-/m0/s1
InChIKeySHHBKDPAVVWRFA-SFTDATJTSA-N
XLogP4.68
TPSA125.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.62
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

[(1S)-3-azido-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-diphenylsilane
CID 10575080
2-(2-Azidoethoxy)ethoxy-tert-butyl-diphenylsilane
CID 150053470
[(4R,5R)-4,5-bis(azidomethyl)-2-methyl-1,3-dioxolan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 10073238
(4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-ol
CID 10363440
(3S,4R)-4-azido-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol
CID 10738751
(3S,4R)-4-azido-2-[tert-butyl(diphenyl)silyl]oxyoxolan-3-ol
CID 10738752
[(1R)-3-azido-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-diphenylsilane
CID 10765538
[(2R)-2-azido-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane
CID 10895181
[(2S,3S)-3-azido-5-methoxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 15217048
[(3aR,4S,6R,6aR)-4-azido-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane
CID 21787895
[(2R)-2-azido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane
CID 102421854

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-4,5-bis(azidomethyl)-2-methyl-1,3-dioxolan-2-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(4S,5S)-4,5-bis(azidomethyl)-2-methyl-1,3-dioxolan-2-yl]methoxy-tert-butyl-diphenylsilane (CID 10050205) is [(4S,5S)-4,5-bis(azidomethyl)-2-methyl-1,3-dioxolan-2-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(4S,5S)-4,5-bis(azidomethyl)-2-methyl-1,3-dioxolan-2-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(4S,5S)-4,5-bis(azidomethyl)-2-methyl-1,3-dioxolan-2-yl]methoxy-tert-butyl-diphenylsilane is CC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H](CN=[N+]=[N-])[C@H](CN=[N+]=[N-])O1.
What is the InChIKey of [(4S,5S)-4,5-bis(azidomethyl)-2-methyl-1,3-dioxolan-2-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is SHHBKDPAVVWRFA-SFTDATJTSA-N. The full InChI is InChI=1S/C23H30N6O3Si/c1-22(2,3)33(18-11-7-5-8-12-18,19-13-9-6-10-14-19)30-17-23(4)31-20(15-26-28-24)21(32-23)16-27-29-25/h5-14,20-21H,15-17H2,1-4H3/t20-,21-/m0/s1.
What are the key properties of [(4S,5S)-4,5-bis(azidomethyl)-2-methyl-1,3-dioxolan-2-yl]methoxy-tert-butyl-diphenylsilane?
[(4S,5S)-4,5-bis(azidomethyl)-2-methyl-1,3-dioxolan-2-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 466.62 g/mol, XLogP of 4.68, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-4,5-bis(azidomethyl)-2-methyl-1,3-dioxolan-2-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 10050205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).