[(2S)-2-azido-2-[(4S,5R)-2,2-dimethyl-5-(11-methyldodecyl)-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane

C36H57N3O3Si — CID 11954958

IUPAC[(2S)-2-azido-2-[(4S,5R)-2,2-dimethyl-5-(11-methyldodecyl)-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane
SMILESCC(C)CCCCCCCCCC[C@H]1OC(C)(C)O[C@H]1[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C36H57N3O3Si/c1-29(2)22-16-12-10-8-9-11-13-21-27-33-34(42-36(6,7)41-33)32(38-39-37)28-40-43(35(3,4)5,30-23-17-14-18-24-30)31-25-19-15-20-26-31/h14-15,17-20,23-26,29,32-34H,8-13,16,21-22,27-28H2,1-7H3/t32-,33+,34-/m0/s1
InChIKeyLJWRLOUCYXEYHW-GMTSZFNJSA-N
MW607.96 g/mol
LogP9.32
Rot. Bonds18

About [(2S)-2-azido-2-[(4S,5R)-2,2-dimethyl-5-(11-methyldodecyl)-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane

[(2S)-2-azido-2-[(4S,5R)-2,2-dimethyl-5-(11-methyldodecyl)-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane (PubChem CID 11954958) has the molecular formula C36H57N3O3Si and a molecular weight of 607.96 g/mol. Its IUPAC name is [(2S)-2-azido-2-[(4S,5R)-2,2-dimethyl-5-(11-methyldodecyl)-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2S)-2-azido-2-[(4S,5R)-2,2-dimethyl-5-(11-methyldodecyl)-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane
PubChem CID11954958
Molecular FormulaC36H57N3O3Si
Molecular Weight607.96 g/mol
Exact Mass607.42
IUPAC Name[(2S)-2-azido-2-[(4S,5R)-2,2-dimethyl-5-(11-methyldodecyl)-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane
SMILESCC(C)CCCCCCCCCC[C@H]1OC(C)(C)O[C@H]1[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C36H57N3O3Si/c1-29(2)22-16-12-10-8-9-11-13-21-27-33-34(42-36(6,7)41-33)32(38-39-37)28-40-43(35(3,4)5,30-23-17-14-18-24-30)31-25-19-15-20-26-31/h14-15,17-20,23-26,29,32-34H,8-13,16,21-22,27-28H2,1-7H3/t32-,33+,34-/m0/s1
InChIKeyLJWRLOUCYXEYHW-GMTSZFNJSA-N
XLogP9.32
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.96
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2S)-2-azido-2-[(4S,5R)-2,2-dimethyl-5-(11-methyldodecyl)-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-2-azido-2-[(4S,5R)-2,2-dioxo-5-tetradecyl-1,3,2-dioxathiolan-4-yl]ethoxy]-tert-butyl-diphenylsilane
CID 16038442
[(2R)-2-[(4R,5S,6S)-6-[(1R)-1-azidoethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane
CID 134845852
(4R,5R)-4,5-bis[(1S)-1-azido-2-phenylethyl]-2,2-dimethyl-1,3-dioxolane
CID 15012930
[(3R,4S,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-yl]oxy-tert-butyl-diphenylsilane
CID 58247469
[2-azido-3-[(3R)-3-(methoxymethoxy)decoxy]propoxy]-tert-butyl-diphenylsilane
CID 59055125
(2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-3-amine
CID 69182839
(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[hydroxy(diphenyl)silyl]-4-methylpentan-1-amine
CID 71002737
(4R,5R)-4,5-bis[(1S)-1-azido-4-phenylbutyl]-2,2-dimethyl-1,3-dioxolane
CID 141791981
[(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
[(4S,5S)-5-[(2S,3S,6S)-3-azido-6-methoxyoxan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane
CID 10007067
[(4S,5S)-5-[(2R,3R,6R)-3-azido-6-methoxyoxan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane
CID 10369576
(4S,5S)-4,5-bis[(1R)-1-azido-4-phenylbutyl]-2,2-dimethyl-1,3-dioxolane
CID 10599597

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-azido-2-[(4S,5R)-2,2-dimethyl-5-(11-methyldodecyl)-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(2S)-2-azido-2-[(4S,5R)-2,2-dimethyl-5-(11-methyldodecyl)-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane (CID 11954958) is [(2S)-2-azido-2-[(4S,5R)-2,2-dimethyl-5-(11-methyldodecyl)-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2S)-2-azido-2-[(4S,5R)-2,2-dimethyl-5-(11-methyldodecyl)-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(2S)-2-azido-2-[(4S,5R)-2,2-dimethyl-5-(11-methyldodecyl)-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane is CC(C)CCCCCCCCCC[C@H]1OC(C)(C)O[C@H]1[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-].
What is the InChIKey of [(2S)-2-azido-2-[(4S,5R)-2,2-dimethyl-5-(11-methyldodecyl)-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane?
The InChIKey is LJWRLOUCYXEYHW-GMTSZFNJSA-N. The full InChI is InChI=1S/C36H57N3O3Si/c1-29(2)22-16-12-10-8-9-11-13-21-27-33-34(42-36(6,7)41-33)32(38-39-37)28-40-43(35(3,4)5,30-23-17-14-18-24-30)31-25-19-15-20-26-31/h14-15,17-20,23-26,29,32-34H,8-13,16,21-22,27-28H2,1-7H3/t32-,33+,34-/m0/s1.
What are the key properties of [(2S)-2-azido-2-[(4S,5R)-2,2-dimethyl-5-(11-methyldodecyl)-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane?
[(2S)-2-azido-2-[(4S,5R)-2,2-dimethyl-5-(11-methyldodecyl)-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane has a molecular weight of 607.96 g/mol, XLogP of 9.32, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-azido-2-[(4S,5R)-2,2-dimethyl-5-(11-methyldodecyl)-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 11954958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).