(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(dibenzylamino)hexan-3-ol

C26H41NO2Si — CID 11112758

IUPAC(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(dibenzylamino)hexan-3-ol
SMILESCC[C@@H](O)[C@H](CCO[Si](C)(C)C(C)(C)C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H41NO2Si/c1-7-25(28)24(18-19-29-30(5,6)26(2,3)4)27(20-22-14-10-8-11-15-22)21-23-16-12-9-13-17-23/h8-17,24-25,28H,7,18-21H2,1-6H3/t24-,25+/m0/s1
InChIKeyNSZWBNQEQYDBSQ-LOSJGSFVSA-N
MW427.71 g/mol
LogP6.24
Rot. Bonds11

About (3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(dibenzylamino)hexan-3-ol

(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(dibenzylamino)hexan-3-ol (PubChem CID 11112758) has the molecular formula C26H41NO2Si and a molecular weight of 427.71 g/mol. Its IUPAC name is (3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(dibenzylamino)hexan-3-ol.

Molecular Properties

Compound Name(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(dibenzylamino)hexan-3-ol
PubChem CID11112758
Molecular FormulaC26H41NO2Si
Molecular Weight427.71 g/mol
Exact Mass427.29
IUPAC Name(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(dibenzylamino)hexan-3-ol
SMILESCC[C@@H](O)[C@H](CCO[Si](C)(C)C(C)(C)C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H41NO2Si/c1-7-25(28)24(18-19-29-30(5,6)26(2,3)4)27(20-22-14-10-8-11-15-22)21-23-16-12-9-13-17-23/h8-17,24-25,28H,7,18-21H2,1-6H3/t24-,25+/m0/s1
InChIKeyNSZWBNQEQYDBSQ-LOSJGSFVSA-N
XLogP6.24
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.71
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(dibenzylamino)hexan-3-ol with MolForge

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Related Compounds

1-(Dibenzylamino)-3-[(2-ethylhexyl)oxy]propan-2-ol
CID 155765665
2-(Benzyl-methyl-amino)-cyclohexanol
CID 13816598
(2R,3R,4R,5S)-2-Hydroxymethyl-1-(3-trimethylsilanyl-benzyl)-piperidine-3,4,5-triol
CID 9883791
(2R,3R,4R,5S)-2-Hydroxymethyl-1-(4-trimethylsilanyl-benzyl)-piperidine-3,4,5-triol
CID 15389575
(2S)-2-[Bis(phenylmethyl)amino]-3-methyl-1-butanol
CID 10517107
(S)-(+)-2-(Dibenzylamino)-1-propanol
CID 11436768
(2R,3R,4R,5S)-2-Hydroxymethyl-1-(2-trimethylsilanyl-benzyl)-piperidine-3,4,5-triol
CID 15389574
(S)-2-(N,N-Dibenzylamino)-3-methylbutanol
CID 13949606
(2R)-2-(dibenzylamino)butan-1-ol
CID 57400222
(2S)-2-[Bis(phenylmethyl)amino]-4-methyl-1-pentanol
CID 10780364
(2R)-2-(Dibenzylamino)propan-1-ol
CID 13949605
(2S,4R)-1-benzyl-2-hydroxymethyl-4-(t-butyldimethylsilyloxy)pyrrolidine
CID 11099295

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(dibenzylamino)hexan-3-ol?
The IUPAC name of (3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(dibenzylamino)hexan-3-ol (CID 11112758) is (3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(dibenzylamino)hexan-3-ol.
What is the SMILES notation for (3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(dibenzylamino)hexan-3-ol?
The canonical SMILES for (3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(dibenzylamino)hexan-3-ol is CC[C@@H](O)[C@H](CCO[Si](C)(C)C(C)(C)C)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(dibenzylamino)hexan-3-ol?
The InChIKey is NSZWBNQEQYDBSQ-LOSJGSFVSA-N. The full InChI is InChI=1S/C26H41NO2Si/c1-7-25(28)24(18-19-29-30(5,6)26(2,3)4)27(20-22-14-10-8-11-15-22)21-23-16-12-9-13-17-23/h8-17,24-25,28H,7,18-21H2,1-6H3/t24-,25+/m0/s1.
What are the key properties of (3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(dibenzylamino)hexan-3-ol?
(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(dibenzylamino)hexan-3-ol has a molecular weight of 427.71 g/mol, XLogP of 6.24, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(dibenzylamino)hexan-3-ol is sourced from PubChem (CID 11112758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).