2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetonitrile

C15H27NO2Si — CID 56593731

IUPAC2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetonitrile
SMILESC=C[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CC#N)O1
InChIInChI=1S/C15H27NO2Si/c1-7-12-8-9-14(13(17-12)10-11-16)18-19(5,6)15(2,3)4/h7,12-14H,1,8-10H2,2-6H3/t12-,13+,14-/m0/s1
InChIKeyZHBKITBTFRZSLD-MJBXVCDLSA-N
MW281.47 g/mol
LogP4.02
Rot. Bonds4

About 2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetonitrile

2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetonitrile (PubChem CID 56593731) has the molecular formula C15H27NO2Si and a molecular weight of 281.47 g/mol. Its IUPAC name is 2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetonitrile
PubChem CID56593731
Molecular FormulaC15H27NO2Si
Molecular Weight281.47 g/mol
Exact Mass281.18
IUPAC Name2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetonitrile
SMILESC=C[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CC#N)O1
InChIInChI=1S/C15H27NO2Si/c1-7-12-8-9-14(13(17-12)10-11-16)18-19(5,6)15(2,3)4/h7,12-14H,1,8-10H2,2-6H3/t12-,13+,14-/m0/s1
InChIKeyZHBKITBTFRZSLD-MJBXVCDLSA-N
XLogP4.02
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(2R,3R,6R)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane
CID 24808853
tert-butyl-[(2R,3R,6S)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane
CID 101545939
(3R)-3-[(2R,3S,5S,6S)-2,5-dimethyl-2-prop-2-enyl-6-[3-tri(propan-2-yl)silyloxypropyl]oxan-3-yl]oxypent-4-enenitrile
CID 46702055

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetonitrile?
The IUPAC name of 2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetonitrile (CID 56593731) is 2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetonitrile.
What is the SMILES notation for 2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetonitrile?
The canonical SMILES for 2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetonitrile is C=C[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CC#N)O1.
What is the InChIKey of 2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetonitrile?
The InChIKey is ZHBKITBTFRZSLD-MJBXVCDLSA-N. The full InChI is InChI=1S/C15H27NO2Si/c1-7-12-8-9-14(13(17-12)10-11-16)18-19(5,6)15(2,3)4/h7,12-14H,1,8-10H2,2-6H3/t12-,13+,14-/m0/s1.
What are the key properties of 2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetonitrile?
2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetonitrile has a molecular weight of 281.47 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetonitrile is sourced from PubChem (CID 56593731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).