[(1S)-3-azido-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-diphenylsilane

C24H33N3O3Si — CID 10575080

IUPAC[(1S)-3-azido-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-diphenylsilane
SMILESCC1(C)OC[C@H]([C@H](CCN=[N+]=[N-])O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C24H33N3O3Si/c1-23(2,3)31(19-12-8-6-9-13-19,20-14-10-7-11-15-20)30-21(16-17-26-27-25)22-18-28-24(4,5)29-22/h6-15,21-22H,16-18H2,1-5H3/t21-,22+/m0/s1
InChIKeyUGMXSLPWNKICFM-FCHUYYIVSA-N
MW439.63 g/mol
LogP4.78
Rot. Bonds8

About [(1S)-3-azido-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-diphenylsilane

[(1S)-3-azido-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-diphenylsilane (PubChem CID 10575080) has the molecular formula C24H33N3O3Si and a molecular weight of 439.63 g/mol. Its IUPAC name is [(1S)-3-azido-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(1S)-3-azido-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-diphenylsilane
PubChem CID10575080
Molecular FormulaC24H33N3O3Si
Molecular Weight439.63 g/mol
Exact Mass439.23
IUPAC Name[(1S)-3-azido-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-diphenylsilane
SMILESCC1(C)OC[C@H]([C@H](CCN=[N+]=[N-])O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C24H33N3O3Si/c1-23(2,3)31(19-12-8-6-9-13-19,20-14-10-7-11-15-20)30-21(16-17-26-27-25)22-18-28-24(4,5)29-22/h6-15,21-22H,16-18H2,1-5H3/t21-,22+/m0/s1
InChIKeyUGMXSLPWNKICFM-FCHUYYIVSA-N
XLogP4.78
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.63
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[(2S)-2-azido-2-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane
CID 42597620
3-[(4S,5R)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]propoxy-tert-butyl-diphenylsilane
CID 71514367
2-[(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethanamine
CID 59733980
[(3aS,4R,6S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyldiazene
CID 60132739
[(3aR,4R,7R,7aR)-7-azido-2,2-dimethyl-6-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane
CID 176734969
(3aS,6R,7aR)-6-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 176778007
[(4S,5S)-4,5-bis(azidomethyl)-2-methyl-1,3-dioxolan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 10050205
[(4R,5R)-4,5-bis(azidomethyl)-2-methyl-1,3-dioxolan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 10073238
[(2R,3S,5S)-5-acetyloxy-2-[(1R)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-yl] acetate
CID 10697069
[(1R)-3-azido-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-diphenylsilane
CID 10765538
[(2R,3R)-4-(azidomethyl)-2,3-bis(methoxymethoxy)pent-4-enoxy]-tert-butyl-diphenylsilane
CID 10767680
[(2R)-2-azido-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane
CID 10895181

Frequently Asked Questions

What is the IUPAC name of [(1S)-3-azido-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(1S)-3-azido-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-diphenylsilane (CID 10575080) is [(1S)-3-azido-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(1S)-3-azido-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(1S)-3-azido-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-diphenylsilane is CC1(C)OC[C@H]([C@H](CCN=[N+]=[N-])O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of [(1S)-3-azido-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-diphenylsilane?
The InChIKey is UGMXSLPWNKICFM-FCHUYYIVSA-N. The full InChI is InChI=1S/C24H33N3O3Si/c1-23(2,3)31(19-12-8-6-9-13-19,20-14-10-7-11-15-20)30-21(16-17-26-27-25)22-18-28-24(4,5)29-22/h6-15,21-22H,16-18H2,1-5H3/t21-,22+/m0/s1.
What are the key properties of [(1S)-3-azido-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-diphenylsilane?
[(1S)-3-azido-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-diphenylsilane has a molecular weight of 439.63 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3-azido-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 10575080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).