(3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylpentanenitrile

C27H31NOSi — CID 50901805

IUPAC(3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylpentanenitrile
SMILESCC(C)(C)[Si](O[C@@H](CC#N)CCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31NOSi/c1-27(2,3)30(25-15-9-5-10-16-25,26-17-11-6-12-18-26)29-24(21-22-28)20-19-23-13-7-4-8-14-23/h4-18,24H,19-21H2,1-3H3/t24-/m1/s1
InChIKeyHJVAWVNGLAYLKG-XMMPIXPASA-N
MW413.64 g/mol
LogP5.48
Rot. Bonds8

About (3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylpentanenitrile

(3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylpentanenitrile (PubChem CID 50901805) has the molecular formula C27H31NOSi and a molecular weight of 413.64 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylpentanenitrile.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylpentanenitrile
PubChem CID50901805
Molecular FormulaC27H31NOSi
Molecular Weight413.64 g/mol
Exact Mass413.22
IUPAC Name(3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylpentanenitrile
SMILESCC(C)(C)[Si](O[C@@H](CC#N)CCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31NOSi/c1-27(2,3)30(25-15-9-5-10-16-25,26-17-11-6-12-18-26)29-24(21-22-28)20-19-23-13-7-4-8-14-23/h4-18,24H,19-21H2,1-3H3/t24-/m1/s1
InChIKeyHJVAWVNGLAYLKG-XMMPIXPASA-N
XLogP5.48
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.64
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-diphenyl-(5-phenylpent-1-yn-3-yloxy)silane
CID 135013582
ethyl 3-[tert-butyl(diphenyl)silyl]oxy-4-cyanobutanoate
CID 11718177
1,7-bis(4-bromophenyl)heptan-4-yloxy-tert-butyl-diphenylsilane
CID 19825362
4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile
CID 78163046
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
[(Z)-1-bromo-5-phenylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane
CID 15364161
tert-butyl-dimethyl-(1-phenylhex-5-yn-3-yloxy)silane
CID 139249096
(3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol
CID 11546522
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylacetonitrile
CID 18653746
tert-butyl-(1-iodopentan-3-yloxy)-diphenylsilane
CID 11080903
tert-butyl-[(2S)-pent-4-yn-2-yl]oxy-diphenylsilane
CID 59466777
tert-butyl-[(2Z,7Z)-nona-2,7-dien-5-yl]oxy-diphenylsilane
CID 58139640

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylpentanenitrile?
The IUPAC name of (3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylpentanenitrile (CID 50901805) is (3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylpentanenitrile.
What is the SMILES notation for (3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylpentanenitrile?
The canonical SMILES for (3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylpentanenitrile is CC(C)(C)[Si](O[C@@H](CC#N)CCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylpentanenitrile?
The InChIKey is HJVAWVNGLAYLKG-XMMPIXPASA-N. The full InChI is InChI=1S/C27H31NOSi/c1-27(2,3)30(25-15-9-5-10-16-25,26-17-11-6-12-18-26)29-24(21-22-28)20-19-23-13-7-4-8-14-23/h4-18,24H,19-21H2,1-3H3/t24-/m1/s1.
What are the key properties of (3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylpentanenitrile?
(3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylpentanenitrile has a molecular weight of 413.64 g/mol, XLogP of 5.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylpentanenitrile is sourced from PubChem (CID 50901805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).