[1-(3,5-dichloro-4-pyridinyl)-4-[(2S,5R)-5-methyloxolan-2-yl]butoxy]-triethylsilane

C20H33Cl2NO2Si — CID 157322699

IUPAC[1-(3,5-dichloro-4-pyridinyl)-4-[(2S,5R)-5-methyloxolan-2-yl]butoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OC(CCC[C@H]1CC[C@@H](C)O1)c1c(Cl)cncc1Cl
InChIInChI=1S/C20H33Cl2NO2Si/c1-5-26(6-2,7-3)25-19(20-17(21)13-23-14-18(20)22)10-8-9-16-12-11-15(4)24-16/h13-16,19H,5-12H2,1-4H3/t15-,16+,19?/m1/s1
InChIKeyBEIXPIUVXZTBIZ-IEAUQHRDSA-N
MW418.48 g/mol
LogP7.19
Rot. Bonds10

About [1-(3,5-dichloro-4-pyridinyl)-4-[(2S,5R)-5-methyloxolan-2-yl]butoxy]-triethylsilane

[1-(3,5-dichloro-4-pyridinyl)-4-[(2S,5R)-5-methyloxolan-2-yl]butoxy]-triethylsilane (PubChem CID 157322699) has the molecular formula C20H33Cl2NO2Si and a molecular weight of 418.48 g/mol. Its IUPAC name is [1-(3,5-dichloro-4-pyridinyl)-4-[(2S,5R)-5-methyloxolan-2-yl]butoxy]-triethylsilane.

Molecular Properties

Compound Name[1-(3,5-dichloro-4-pyridinyl)-4-[(2S,5R)-5-methyloxolan-2-yl]butoxy]-triethylsilane
PubChem CID157322699
Molecular FormulaC20H33Cl2NO2Si
Molecular Weight418.48 g/mol
Exact Mass417.17
IUPAC Name[1-(3,5-dichloro-4-pyridinyl)-4-[(2S,5R)-5-methyloxolan-2-yl]butoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OC(CCC[C@H]1CC[C@@H](C)O1)c1c(Cl)cncc1Cl
InChIInChI=1S/C20H33Cl2NO2Si/c1-5-26(6-2,7-3)25-19(20-17(21)13-23-14-18(20)22)10-8-9-16-12-11-15(4)24-16/h13-16,19H,5-12H2,1-4H3/t15-,16+,19?/m1/s1
InChIKeyBEIXPIUVXZTBIZ-IEAUQHRDSA-N
XLogP7.19
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.48
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [1-(3,5-dichloro-4-pyridinyl)-4-[(2S,5R)-5-methyloxolan-2-yl]butoxy]-triethylsilane?
The IUPAC name of [1-(3,5-dichloro-4-pyridinyl)-4-[(2S,5R)-5-methyloxolan-2-yl]butoxy]-triethylsilane (CID 157322699) is [1-(3,5-dichloro-4-pyridinyl)-4-[(2S,5R)-5-methyloxolan-2-yl]butoxy]-triethylsilane.
What is the SMILES notation for [1-(3,5-dichloro-4-pyridinyl)-4-[(2S,5R)-5-methyloxolan-2-yl]butoxy]-triethylsilane?
The canonical SMILES for [1-(3,5-dichloro-4-pyridinyl)-4-[(2S,5R)-5-methyloxolan-2-yl]butoxy]-triethylsilane is CC[Si](CC)(CC)OC(CCC[C@H]1CC[C@@H](C)O1)c1c(Cl)cncc1Cl.
What is the InChIKey of [1-(3,5-dichloro-4-pyridinyl)-4-[(2S,5R)-5-methyloxolan-2-yl]butoxy]-triethylsilane?
The InChIKey is BEIXPIUVXZTBIZ-IEAUQHRDSA-N. The full InChI is InChI=1S/C20H33Cl2NO2Si/c1-5-26(6-2,7-3)25-19(20-17(21)13-23-14-18(20)22)10-8-9-16-12-11-15(4)24-16/h13-16,19H,5-12H2,1-4H3/t15-,16+,19?/m1/s1.
What are the key properties of [1-(3,5-dichloro-4-pyridinyl)-4-[(2S,5R)-5-methyloxolan-2-yl]butoxy]-triethylsilane?
[1-(3,5-dichloro-4-pyridinyl)-4-[(2S,5R)-5-methyloxolan-2-yl]butoxy]-triethylsilane has a molecular weight of 418.48 g/mol, XLogP of 7.19, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dichloro-4-pyridinyl)-4-[(2S,5R)-5-methyloxolan-2-yl]butoxy]-triethylsilane is sourced from PubChem (CID 157322699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).