(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethoxybutan-2-amine

C22H33NO3Si — CID 11784029

IUPAC(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethoxybutan-2-amine
SMILESCOC(C)(OC)[C@H](N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H33NO3Si/c1-21(2,3)27(18-13-9-7-10-14-18,19-15-11-8-12-16-19)26-17-20(23)22(4,24-5)25-6/h7-16,20H,17,23H2,1-6H3/t20-/m1/s1
InChIKeyMLIRHCFQQNYYLN-HXUWFJFHSA-N
MW387.60 g/mol
LogP2.90
Rot. Bonds8

About (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethoxybutan-2-amine

(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethoxybutan-2-amine (PubChem CID 11784029) has the molecular formula C22H33NO3Si and a molecular weight of 387.60 g/mol. Its IUPAC name is (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethoxybutan-2-amine.

Molecular Properties

Compound Name(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethoxybutan-2-amine
PubChem CID11784029
Molecular FormulaC22H33NO3Si
Molecular Weight387.60 g/mol
Exact Mass387.22
IUPAC Name(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethoxybutan-2-amine
SMILESCOC(C)(OC)[C@H](N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H33NO3Si/c1-21(2,3)27(18-13-9-7-10-14-18,19-15-11-8-12-16-19)26-17-20(23)22(4,24-5)25-6/h7-16,20H,17,23H2,1-6H3/t20-/m1/s1
InChIKeyMLIRHCFQQNYYLN-HXUWFJFHSA-N
XLogP2.90
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.60
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethoxybutan-2-amine?
The IUPAC name of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethoxybutan-2-amine (CID 11784029) is (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethoxybutan-2-amine.
What is the SMILES notation for (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethoxybutan-2-amine?
The canonical SMILES for (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethoxybutan-2-amine is COC(C)(OC)[C@H](N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethoxybutan-2-amine?
The InChIKey is MLIRHCFQQNYYLN-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H33NO3Si/c1-21(2,3)27(18-13-9-7-10-14-18,19-15-11-8-12-16-19)26-17-20(23)22(4,24-5)25-6/h7-16,20H,17,23H2,1-6H3/t20-/m1/s1.
What are the key properties of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethoxybutan-2-amine?
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethoxybutan-2-amine has a molecular weight of 387.60 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethoxybutan-2-amine is sourced from PubChem (CID 11784029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).