(2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-3-amine

C28H41NO4Si — CID 69182839

IUPAC(2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-3-amine
SMILESCC1(C)OCC(C[C@@H]2CCC(N)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)O1
InChIInChI=1S/C28H41NO4Si/c1-27(2,3)34(23-12-8-6-9-13-23,24-14-10-7-11-15-24)31-20-26-25(29)17-16-21(32-26)18-22-19-30-28(4,5)33-22/h6-15,21-22,25-26H,16-20,29H2,1-5H3/t21-,22?,25?,26+/m0/s1
InChIKeyIQDOCWIGAMSMEG-ZRLQTTOVSA-N
MW483.73 g/mol
LogP3.98
Rot. Bonds7

About (2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-3-amine

(2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-3-amine (PubChem CID 69182839) has the molecular formula C28H41NO4Si and a molecular weight of 483.73 g/mol. Its IUPAC name is (2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-3-amine.

Molecular Properties

Compound Name(2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-3-amine
PubChem CID69182839
Molecular FormulaC28H41NO4Si
Molecular Weight483.73 g/mol
Exact Mass483.28
IUPAC Name(2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-3-amine
SMILESCC1(C)OCC(C[C@@H]2CCC(N)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)O1
InChIInChI=1S/C28H41NO4Si/c1-27(2,3)34(23-12-8-6-9-13-23,24-14-10-7-11-15-24)31-20-26-25(29)17-16-21(32-26)18-22-19-30-28(4,5)33-22/h6-15,21-22,25-26H,16-20,29H2,1-5H3/t21-,22?,25?,26+/m0/s1
InChIKeyIQDOCWIGAMSMEG-ZRLQTTOVSA-N
XLogP3.98
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.73
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-3-amine?
The IUPAC name of (2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-3-amine (CID 69182839) is (2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-3-amine.
What is the SMILES notation for (2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-3-amine?
The canonical SMILES for (2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-3-amine is CC1(C)OCC(C[C@@H]2CCC(N)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)O1.
What is the InChIKey of (2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-3-amine?
The InChIKey is IQDOCWIGAMSMEG-ZRLQTTOVSA-N. The full InChI is InChI=1S/C28H41NO4Si/c1-27(2,3)34(23-12-8-6-9-13-23,24-14-10-7-11-15-24)31-20-26-25(29)17-16-21(32-26)18-22-19-30-28(4,5)33-22/h6-15,21-22,25-26H,16-20,29H2,1-5H3/t21-,22?,25?,26+/m0/s1.
What are the key properties of (2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-3-amine?
(2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-3-amine has a molecular weight of 483.73 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-3-amine is sourced from PubChem (CID 69182839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).