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

C15H29ClN2O2Si — CID 164681915

IUPACchloromethyl-[[(2R,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane
SMILESCCOC1=N[C@H](C(C)C)C(OCC)=N[C@H]1C[Si](C)(C)CCl
InChIInChI=1S/C15H29ClN2O2Si/c1-7-19-14-12(9-21(5,6)10-16)17-15(20-8-2)13(18-14)11(3)4/h11-13H,7-10H2,1-6H3/t12-,13+/m0/s1
InChIKeyKGJMLJPWJGGKPJ-QWHCGFSZSA-N
MW332.95 g/mol
LogP3.75
Rot. Bonds6

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

chloromethyl-[[(2R,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane (PubChem CID 164681915) has the molecular formula C15H29ClN2O2Si and a molecular weight of 332.95 g/mol. Its IUPAC name is chloromethyl-[[(2R,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane.

Molecular Properties

Compound Namechloromethyl-[[(2R,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane
PubChem CID164681915
Molecular FormulaC15H29ClN2O2Si
Molecular Weight332.95 g/mol
Exact Mass332.17
IUPAC Namechloromethyl-[[(2R,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane
SMILESCCOC1=N[C@H](C(C)C)C(OCC)=N[C@H]1C[Si](C)(C)CCl
InChIInChI=1S/C15H29ClN2O2Si/c1-7-19-14-12(9-21(5,6)10-16)17-15(20-8-2)13(18-14)11(3)4/h11-13H,7-10H2,1-6H3/t12-,13+/m0/s1
InChIKeyKGJMLJPWJGGKPJ-QWHCGFSZSA-N
XLogP3.75
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.95
LogP ≤ 53.75
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 chloromethyl-[[(2R,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane?
The IUPAC name of chloromethyl-[[(2R,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane (CID 164681915) is chloromethyl-[[(2R,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane.
What is the SMILES notation for chloromethyl-[[(2R,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane?
The canonical SMILES for chloromethyl-[[(2R,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane is CCOC1=N[C@H](C(C)C)C(OCC)=N[C@H]1C[Si](C)(C)CCl.
What is the InChIKey of chloromethyl-[[(2R,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane?
The InChIKey is KGJMLJPWJGGKPJ-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H29ClN2O2Si/c1-7-19-14-12(9-21(5,6)10-16)17-15(20-8-2)13(18-14)11(3)4/h11-13H,7-10H2,1-6H3/t12-,13+/m0/s1.
What are the key properties of chloromethyl-[[(2R,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane?
chloromethyl-[[(2R,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane has a molecular weight of 332.95 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl-[[(2R,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane is sourced from PubChem (CID 164681915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).