(3R,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanenitrile

C19H41NO2Si2 — CID 101210753

IUPAC(3R,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanenitrile
SMILESC[C@H](CC#N)[C@@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H41NO2Si2/c1-16(12-14-20)17(22-24(10,11)19(5,6)7)13-15-21-23(8,9)18(2,3)4/h16-17H,12-13,15H2,1-11H3/t16-,17-/m1/s1
InChIKeyHPAKLPLIQCUPPB-IAGOWNOFSA-N
MW371.71 g/mol
LogP6.34
Rot. Bonds8

About (3R,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanenitrile

(3R,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanenitrile (PubChem CID 101210753) has the molecular formula C19H41NO2Si2 and a molecular weight of 371.71 g/mol. Its IUPAC name is (3R,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanenitrile.

Molecular Properties

Compound Name(3R,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanenitrile
PubChem CID101210753
Molecular FormulaC19H41NO2Si2
Molecular Weight371.71 g/mol
Exact Mass371.27
IUPAC Name(3R,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanenitrile
SMILESC[C@H](CC#N)[C@@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H41NO2Si2/c1-16(12-14-20)17(22-24(10,11)19(5,6)7)13-15-21-23(8,9)18(2,3)4/h16-17H,12-13,15H2,1-11H3/t16-,17-/m1/s1
InChIKeyHPAKLPLIQCUPPB-IAGOWNOFSA-N
XLogP6.34
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.71
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-6-ynoxy]-dimethylsilane
CID 11773114
[(E,3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhex-1-enyl]boronic acid
CID 134887511
[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane
CID 125499133
tert-butyl-[(Z,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enoxy]-dimethylsilane
CID 177383661
tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-triethylsilyloxyhex-5-ynoxy]silane
CID 11602878
tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-8-iodo-4,6-dimethylocta-5,7-dienoxy]-dimethylsilane
CID 90919260
[(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane
CID 10902026
3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobutanenitrile
CID 5097328
trimethyl-[(3R,4S)-3,4,7-tris[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl]silane
CID 10530881
tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-6-iodohexan-3-yl]oxy-dimethylsilane
CID 11102782
(2R,3S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexane-1,2-diol
CID 11235887
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynenitrile
CID 11087733

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanenitrile?
The IUPAC name of (3R,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanenitrile (CID 101210753) is (3R,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanenitrile.
What is the SMILES notation for (3R,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanenitrile?
The canonical SMILES for (3R,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanenitrile is C[C@H](CC#N)[C@@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanenitrile?
The InChIKey is HPAKLPLIQCUPPB-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H41NO2Si2/c1-16(12-14-20)17(22-24(10,11)19(5,6)7)13-15-21-23(8,9)18(2,3)4/h16-17H,12-13,15H2,1-11H3/t16-,17-/m1/s1.
What are the key properties of (3R,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanenitrile?
(3R,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanenitrile has a molecular weight of 371.71 g/mol, XLogP of 6.34, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanenitrile is sourced from PubChem (CID 101210753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).