(2R)-4-amino-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol

C20H29NO2Si — CID 58007363

IUPAC(2R)-4-amino-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol
SMILESCC(C)(C)[Si](OC[C@H](O)CCN)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H29NO2Si/c1-20(2,3)24(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-16-17(22)14-15-21/h4-13,17,22H,14-16,21H2,1-3H3/t17-/m1/s1
InChIKeyNFNRBCAONVDZOE-QGZVFWFLSA-N
MW343.54 g/mol
LogP2.27
Rot. Bonds7

About (2R)-4-amino-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol

(2R)-4-amino-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol (PubChem CID 58007363) has the molecular formula C20H29NO2Si and a molecular weight of 343.54 g/mol. Its IUPAC name is (2R)-4-amino-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol.

Molecular Properties

Compound Name(2R)-4-amino-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol
PubChem CID58007363
Molecular FormulaC20H29NO2Si
Molecular Weight343.54 g/mol
Exact Mass343.20
IUPAC Name(2R)-4-amino-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol
SMILESCC(C)(C)[Si](OC[C@H](O)CCN)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H29NO2Si/c1-20(2,3)24(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-16-17(22)14-15-21/h4-13,17,22H,14-16,21H2,1-3H3/t17-/m1/s1
InChIKeyNFNRBCAONVDZOE-QGZVFWFLSA-N
XLogP2.27
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 52.27
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)-4-amino-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol?
The IUPAC name of (2R)-4-amino-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol (CID 58007363) is (2R)-4-amino-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol.
What is the SMILES notation for (2R)-4-amino-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol?
The canonical SMILES for (2R)-4-amino-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol is CC(C)(C)[Si](OC[C@H](O)CCN)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-4-amino-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol?
The InChIKey is NFNRBCAONVDZOE-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29NO2Si/c1-20(2,3)24(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-16-17(22)14-15-21/h4-13,17,22H,14-16,21H2,1-3H3/t17-/m1/s1.
What are the key properties of (2R)-4-amino-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol?
(2R)-4-amino-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol has a molecular weight of 343.54 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol is sourced from PubChem (CID 58007363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).