[1-(3,5-dichloro-4-pyridinyl)-6,6-dimethylheptoxy]-triethylsilane

C20H35Cl2NOSi — CID 157163157

IUPAC[1-(3,5-dichloro-4-pyridinyl)-6,6-dimethylheptoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OC(CCCCC(C)(C)C)c1c(Cl)cncc1Cl
InChIInChI=1S/C20H35Cl2NOSi/c1-7-25(8-2,9-3)24-18(12-10-11-13-20(4,5)6)19-16(21)14-23-15-17(19)22/h14-15,18H,7-13H2,1-6H3
InChIKeyXKQLVFGEBSEQRW-UHFFFAOYSA-N
MW404.50 g/mol
LogP8.06
Rot. Bonds10

About [1-(3,5-dichloro-4-pyridinyl)-6,6-dimethylheptoxy]-triethylsilane

[1-(3,5-dichloro-4-pyridinyl)-6,6-dimethylheptoxy]-triethylsilane (PubChem CID 157163157) has the molecular formula C20H35Cl2NOSi and a molecular weight of 404.50 g/mol. Its IUPAC name is [1-(3,5-dichloro-4-pyridinyl)-6,6-dimethylheptoxy]-triethylsilane.

Molecular Properties

Compound Name[1-(3,5-dichloro-4-pyridinyl)-6,6-dimethylheptoxy]-triethylsilane
PubChem CID157163157
Molecular FormulaC20H35Cl2NOSi
Molecular Weight404.50 g/mol
Exact Mass403.19
IUPAC Name[1-(3,5-dichloro-4-pyridinyl)-6,6-dimethylheptoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OC(CCCCC(C)(C)C)c1c(Cl)cncc1Cl
InChIInChI=1S/C20H35Cl2NOSi/c1-7-25(8-2,9-3)24-18(12-10-11-13-20(4,5)6)19-16(21)14-23-15-17(19)22/h14-15,18H,7-13H2,1-6H3
InChIKeyXKQLVFGEBSEQRW-UHFFFAOYSA-N
XLogP8.06
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.50
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dichloro-4-pyridinyl)-6,6-dimethylheptoxy]-triethylsilane?
The IUPAC name of [1-(3,5-dichloro-4-pyridinyl)-6,6-dimethylheptoxy]-triethylsilane (CID 157163157) is [1-(3,5-dichloro-4-pyridinyl)-6,6-dimethylheptoxy]-triethylsilane.
What is the SMILES notation for [1-(3,5-dichloro-4-pyridinyl)-6,6-dimethylheptoxy]-triethylsilane?
The canonical SMILES for [1-(3,5-dichloro-4-pyridinyl)-6,6-dimethylheptoxy]-triethylsilane is CC[Si](CC)(CC)OC(CCCCC(C)(C)C)c1c(Cl)cncc1Cl.
What is the InChIKey of [1-(3,5-dichloro-4-pyridinyl)-6,6-dimethylheptoxy]-triethylsilane?
The InChIKey is XKQLVFGEBSEQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35Cl2NOSi/c1-7-25(8-2,9-3)24-18(12-10-11-13-20(4,5)6)19-16(21)14-23-15-17(19)22/h14-15,18H,7-13H2,1-6H3.
What are the key properties of [1-(3,5-dichloro-4-pyridinyl)-6,6-dimethylheptoxy]-triethylsilane?
[1-(3,5-dichloro-4-pyridinyl)-6,6-dimethylheptoxy]-triethylsilane has a molecular weight of 404.50 g/mol, XLogP of 8.06, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dichloro-4-pyridinyl)-6,6-dimethylheptoxy]-triethylsilane is sourced from PubChem (CID 157163157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).