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

C38H49NO2Si2 — CID 19794255

IUPAC3,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine
SMILESCC(C)(C)[Si](OCC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(N)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H49NO2Si2/c1-36(2,3)42(32-19-11-7-12-20-32,33-21-13-8-14-22-33)40-29-38(27-31(39)28-38)30-41-43(37(4,5)6,34-23-15-9-16-24-34)35-25-17-10-18-26-35/h7-26,31H,27-30,39H2,1-6H3
InChIKeyPCBFVFHQRBGOBK-UHFFFAOYSA-N
MW607.99 g/mol
LogP6.25
Rot. Bonds10

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

3,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine (PubChem CID 19794255) has the molecular formula C38H49NO2Si2 and a molecular weight of 607.99 g/mol. Its IUPAC name is 3,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine
PubChem CID19794255
Molecular FormulaC38H49NO2Si2
Molecular Weight607.99 g/mol
Exact Mass607.33
IUPAC Name3,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine
SMILESCC(C)(C)[Si](OCC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(N)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H49NO2Si2/c1-36(2,3)42(32-19-11-7-12-20-32,33-21-13-8-14-22-33)40-29-38(27-31(39)28-38)30-41-43(37(4,5)6,34-23-15-9-16-24-34)35-25-17-10-18-26-35/h7-26,31H,27-30,39H2,1-6H3
InChIKeyPCBFVFHQRBGOBK-UHFFFAOYSA-N
XLogP6.25
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 ≤ 56.25
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 3,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine?
The IUPAC name of 3,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine (CID 19794255) is 3,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine.
What is the SMILES notation for 3,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine?
The canonical SMILES for 3,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine is CC(C)(C)[Si](OCC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(N)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine?
The InChIKey is PCBFVFHQRBGOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H49NO2Si2/c1-36(2,3)42(32-19-11-7-12-20-32,33-21-13-8-14-22-33)40-29-38(27-31(39)28-38)30-41-43(37(4,5)6,34-23-15-9-16-24-34)35-25-17-10-18-26-35/h7-26,31H,27-30,39H2,1-6H3.
What are the key properties of 3,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine?
3,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine has a molecular weight of 607.99 g/mol, XLogP of 6.25, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine is sourced from PubChem (CID 19794255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).