(2R,3R)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol

C17H31NO2Si — CID 10733702

IUPAC(2R,3R)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)NCc1ccccc1
InChIInChI=1S/C17H31NO2Si/c1-14(20-21(5,6)17(2,3)4)16(13-19)18-12-15-10-8-7-9-11-15/h7-11,14,16,18-19H,12-13H2,1-6H3/t14-,16-/m1/s1
InChIKeyNYWSVUPNERISSZ-GDBMZVCRSA-N
MW309.53 g/mol
LogP3.55
Rot. Bonds7

About (2R,3R)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol

(2R,3R)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol (PubChem CID 10733702) has the molecular formula C17H31NO2Si and a molecular weight of 309.53 g/mol. Its IUPAC name is (2R,3R)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol.

Molecular Properties

Compound Name(2R,3R)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
PubChem CID10733702
Molecular FormulaC17H31NO2Si
Molecular Weight309.53 g/mol
Exact Mass309.21
IUPAC Name(2R,3R)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)NCc1ccccc1
InChIInChI=1S/C17H31NO2Si/c1-14(20-21(5,6)17(2,3)4)16(13-19)18-12-15-10-8-7-9-11-15/h7-11,14,16,18-19H,12-13H2,1-6H3/t14-,16-/m1/s1
InChIKeyNYWSVUPNERISSZ-GDBMZVCRSA-N
XLogP3.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.53
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol?
The IUPAC name of (2R,3R)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol (CID 10733702) is (2R,3R)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol.
What is the SMILES notation for (2R,3R)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol?
The canonical SMILES for (2R,3R)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)NCc1ccccc1.
What is the InChIKey of (2R,3R)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol?
The InChIKey is NYWSVUPNERISSZ-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H31NO2Si/c1-14(20-21(5,6)17(2,3)4)16(13-19)18-12-15-10-8-7-9-11-15/h7-11,14,16,18-19H,12-13H2,1-6H3/t14-,16-/m1/s1.
What are the key properties of (2R,3R)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol?
(2R,3R)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol has a molecular weight of 309.53 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol is sourced from PubChem (CID 10733702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).