2-chloroethyl-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane

C14H27ClN2O2Si — CID 89467236

IUPAC2-chloroethyl-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane
SMILESCOC1=N[C@H](C(C)C)C(OC)=N[C@H]1C[Si](C)(C)CCCl
InChIInChI=1S/C14H27ClN2O2Si/c1-10(2)12-14(19-4)16-11(13(17-12)18-3)9-20(5,6)8-7-15/h10-12H,7-9H2,1-6H3/t11-,12+/m0/s1
InChIKeyXGENROBPVDQYLB-NWDGAFQWSA-N
MW318.92 g/mol
LogP3.43
Rot. Bonds5

About 2-chloroethyl-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane

2-chloroethyl-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane (PubChem CID 89467236) has the molecular formula C14H27ClN2O2Si and a molecular weight of 318.92 g/mol. Its IUPAC name is 2-chloroethyl-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane.

Molecular Properties

Compound Name2-chloroethyl-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane
PubChem CID89467236
Molecular FormulaC14H27ClN2O2Si
Molecular Weight318.92 g/mol
Exact Mass318.15
IUPAC Name2-chloroethyl-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane
SMILESCOC1=N[C@H](C(C)C)C(OC)=N[C@H]1C[Si](C)(C)CCCl
InChIInChI=1S/C14H27ClN2O2Si/c1-10(2)12-14(19-4)16-11(13(17-12)18-3)9-20(5,6)8-7-15/h10-12H,7-9H2,1-6H3/t11-,12+/m0/s1
InChIKeyXGENROBPVDQYLB-NWDGAFQWSA-N
XLogP3.43
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.92
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane?
The IUPAC name of 2-chloroethyl-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane (CID 89467236) is 2-chloroethyl-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane.
What is the SMILES notation for 2-chloroethyl-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane?
The canonical SMILES for 2-chloroethyl-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane is COC1=N[C@H](C(C)C)C(OC)=N[C@H]1C[Si](C)(C)CCCl.
What is the InChIKey of 2-chloroethyl-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane?
The InChIKey is XGENROBPVDQYLB-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H27ClN2O2Si/c1-10(2)12-14(19-4)16-11(13(17-12)18-3)9-20(5,6)8-7-15/h10-12H,7-9H2,1-6H3/t11-,12+/m0/s1.
What are the key properties of 2-chloroethyl-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane?
2-chloroethyl-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane has a molecular weight of 318.92 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane is sourced from PubChem (CID 89467236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).