(1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine

C38H49NO2Si2 — CID 57215024

IUPAC(1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine
SMILESCC(C)(C)[Si](OC[C@H]1C[C@@H](N)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H49NO2Si2/c1-37(2,3)42(31-19-11-7-12-20-31,32-21-13-8-14-22-32)40-28-30-27-36(39)35(30)29-41-43(38(4,5)6,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-26,30,35-36H,27-29,39H2,1-6H3/t30-,35-,36-/m1/s1
InChIKeyRJRPCZQQRDXLMD-ZCFPMLOXSA-N
MW607.99 g/mol
LogP6.10
Rot. Bonds10

About (1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine

(1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine (PubChem CID 57215024) has the molecular formula C38H49NO2Si2 and a molecular weight of 607.99 g/mol. Its IUPAC name is (1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name(1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine
PubChem CID57215024
Molecular FormulaC38H49NO2Si2
Molecular Weight607.99 g/mol
Exact Mass607.33
IUPAC Name(1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine
SMILESCC(C)(C)[Si](OC[C@H]1C[C@@H](N)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H49NO2Si2/c1-37(2,3)42(31-19-11-7-12-20-31,32-21-13-8-14-22-32)40-28-30-27-36(39)35(30)29-41-43(38(4,5)6,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-26,30,35-36H,27-29,39H2,1-6H3/t30-,35-,36-/m1/s1
InChIKeyRJRPCZQQRDXLMD-ZCFPMLOXSA-N
XLogP6.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.99
LogP ≤ 56.10
H-Bond Donors ≤ 51
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 (1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine?
The IUPAC name of (1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine (CID 57215024) is (1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine.
What is the SMILES notation for (1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine?
The canonical SMILES for (1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine is CC(C)(C)[Si](OC[C@H]1C[C@@H](N)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine?
The InChIKey is RJRPCZQQRDXLMD-ZCFPMLOXSA-N. The full InChI is InChI=1S/C38H49NO2Si2/c1-37(2,3)42(31-19-11-7-12-20-31,32-21-13-8-14-22-32)40-28-30-27-36(39)35(30)29-41-43(38(4,5)6,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-26,30,35-36H,27-29,39H2,1-6H3/t30-,35-,36-/m1/s1.
What are the key properties of (1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine?
(1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine has a molecular weight of 607.99 g/mol, XLogP of 6.10, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine is sourced from PubChem (CID 57215024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).