[5-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane

C21H29NSi — CID 140739408

IUPAC[5-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane
SMILESC[Si](C)(C)c1cnc(-c2ccccc2)c(CC2CCCCC2)c1
InChIInChI=1S/C21H29NSi/c1-23(2,3)20-15-19(14-17-10-6-4-7-11-17)21(22-16-20)18-12-8-5-9-13-18/h5,8-9,12-13,15-17H,4,6-7,10-11,14H2,1-3H3
InChIKeyOIHIALGZXWTDTO-UHFFFAOYSA-N
MW323.56 g/mol
LogP5.42
Rot. Bonds4

About [5-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane

[5-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane (PubChem CID 140739408) has the molecular formula C21H29NSi and a molecular weight of 323.56 g/mol. Its IUPAC name is [5-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane.

Molecular Properties

Compound Name[5-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane
PubChem CID140739408
Molecular FormulaC21H29NSi
Molecular Weight323.56 g/mol
Exact Mass323.21
IUPAC Name[5-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane
SMILESC[Si](C)(C)c1cnc(-c2ccccc2)c(CC2CCCCC2)c1
InChIInChI=1S/C21H29NSi/c1-23(2,3)20-15-19(14-17-10-6-4-7-11-17)21(22-16-20)18-12-8-5-9-13-18/h5,8-9,12-13,15-17H,4,6-7,10-11,14H2,1-3H3
InChIKeyOIHIALGZXWTDTO-UHFFFAOYSA-N
XLogP5.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.56
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane?
The IUPAC name of [5-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane (CID 140739408) is [5-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane.
What is the SMILES notation for [5-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane?
The canonical SMILES for [5-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane is C[Si](C)(C)c1cnc(-c2ccccc2)c(CC2CCCCC2)c1.
What is the InChIKey of [5-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane?
The InChIKey is OIHIALGZXWTDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NSi/c1-23(2,3)20-15-19(14-17-10-6-4-7-11-17)21(22-16-20)18-12-8-5-9-13-18/h5,8-9,12-13,15-17H,4,6-7,10-11,14H2,1-3H3.
What are the key properties of [5-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane?
[5-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane has a molecular weight of 323.56 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane is sourced from PubChem (CID 140739408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).