(2S)-2-hydroxy-6-trityloxyhexanenitrile

C25H25NO2 — CID 101359506

IUPAC(2S)-2-hydroxy-6-trityloxyhexanenitrile
SMILESN#C[C@@H](O)CCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO2/c26-20-24(27)18-10-11-19-28-25(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,12-17,24,27H,10-11,18-19H2/t24-/m0/s1
InChIKeyRZVHDJKIOJPIGL-DEOSSOPVSA-N
MW371.48 g/mol
LogP5.05
Rot. Bonds9

About (2S)-2-hydroxy-6-trityloxyhexanenitrile

(2S)-2-hydroxy-6-trityloxyhexanenitrile (PubChem CID 101359506) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is (2S)-2-hydroxy-6-trityloxyhexanenitrile.

Molecular Properties

Compound Name(2S)-2-hydroxy-6-trityloxyhexanenitrile
PubChem CID101359506
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name(2S)-2-hydroxy-6-trityloxyhexanenitrile
SMILESN#C[C@@H](O)CCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO2/c26-20-24(27)18-10-11-19-28-25(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,12-17,24,27H,10-11,18-19H2/t24-/m0/s1
InChIKeyRZVHDJKIOJPIGL-DEOSSOPVSA-N
XLogP5.05
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanohydrins', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2S)-6-trityloxyhexane-1,2-diol
CID 100961940
1,5-ditrityloxypentan-3-ol
CID 140507927
1,4-ditrityloxybutan-2-ol
CID 13443283
1-trityloxytetradecan-3-ol
CID 71342983
(3R)-1-trityloxytetradecan-3-ol
CID 15104977
(3S)-1-trityloxypentan-3-ol
CID 11163798
(2R)-1-amino-4-trityloxybutan-2-ol
CID 69243121
(3S)-3-(methoxymethoxy)-7-trityloxyheptan-1-ol
CID 11070122
heptakis([diphenyl(propoxy)methyl]benzene);2-trityloxyethanol
CID 159570808
[diphenyl(4-prop-2-enoxybutoxy)methyl]benzene
CID 11462923
4-(2-phenylpropan-2-yloxy)butanenitrile
CID 174653119
methyl 5-trityloxypentanoate
CID 171841896

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-6-trityloxyhexanenitrile?
The IUPAC name of (2S)-2-hydroxy-6-trityloxyhexanenitrile (CID 101359506) is (2S)-2-hydroxy-6-trityloxyhexanenitrile.
What is the SMILES notation for (2S)-2-hydroxy-6-trityloxyhexanenitrile?
The canonical SMILES for (2S)-2-hydroxy-6-trityloxyhexanenitrile is N#C[C@@H](O)CCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-hydroxy-6-trityloxyhexanenitrile?
The InChIKey is RZVHDJKIOJPIGL-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H25NO2/c26-20-24(27)18-10-11-19-28-25(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,12-17,24,27H,10-11,18-19H2/t24-/m0/s1.
What are the key properties of (2S)-2-hydroxy-6-trityloxyhexanenitrile?
(2S)-2-hydroxy-6-trityloxyhexanenitrile has a molecular weight of 371.48 g/mol, XLogP of 5.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-6-trityloxyhexanenitrile is sourced from PubChem (CID 101359506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).