(2R,5R)-2-[[1-(chloromethyl)silolan-1-yl]methyl]-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazine

C15H27ClN2OSi — CID 58427072

IUPAC(2R,5R)-2-[[1-(chloromethyl)silolan-1-yl]methyl]-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazine
SMILESCOC1=N[C@H](C(C)C)C(C)=N[C@H]1C[Si]1(CCl)CCCC1
InChIInChI=1S/C15H27ClN2OSi/c1-11(2)14-12(3)17-13(15(18-14)19-4)9-20(10-16)7-5-6-8-20/h11,13-14H,5-10H2,1-4H3/t13-,14+/m0/s1
InChIKeyFTLDYXLHUVCFOM-UONOGXRCSA-N
MW314.93 g/mol
LogP3.92
Rot. Bonds4

About (2R,5R)-2-[[1-(chloromethyl)silolan-1-yl]methyl]-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazine

(2R,5R)-2-[[1-(chloromethyl)silolan-1-yl]methyl]-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazine (PubChem CID 58427072) has the molecular formula C15H27ClN2OSi and a molecular weight of 314.93 g/mol. Its IUPAC name is (2R,5R)-2-[[1-(chloromethyl)silolan-1-yl]methyl]-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazine.

Molecular Properties

Compound Name(2R,5R)-2-[[1-(chloromethyl)silolan-1-yl]methyl]-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazine
PubChem CID58427072
Molecular FormulaC15H27ClN2OSi
Molecular Weight314.93 g/mol
Exact Mass314.16
IUPAC Name(2R,5R)-2-[[1-(chloromethyl)silolan-1-yl]methyl]-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazine
SMILESCOC1=N[C@H](C(C)C)C(C)=N[C@H]1C[Si]1(CCl)CCCC1
InChIInChI=1S/C15H27ClN2OSi/c1-11(2)14-12(3)17-13(15(18-14)19-4)9-20(10-16)7-5-6-8-20/h11,13-14H,5-10H2,1-4H3/t13-,14+/m0/s1
InChIKeyFTLDYXLHUVCFOM-UONOGXRCSA-N
XLogP3.92
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.93
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (2R,5R)-2-[[1-(chloromethyl)silolan-1-yl]methyl]-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazine?
The IUPAC name of (2R,5R)-2-[[1-(chloromethyl)silolan-1-yl]methyl]-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazine (CID 58427072) is (2R,5R)-2-[[1-(chloromethyl)silolan-1-yl]methyl]-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazine.
What is the SMILES notation for (2R,5R)-2-[[1-(chloromethyl)silolan-1-yl]methyl]-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazine?
The canonical SMILES for (2R,5R)-2-[[1-(chloromethyl)silolan-1-yl]methyl]-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazine is COC1=N[C@H](C(C)C)C(C)=N[C@H]1C[Si]1(CCl)CCCC1.
What is the InChIKey of (2R,5R)-2-[[1-(chloromethyl)silolan-1-yl]methyl]-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazine?
The InChIKey is FTLDYXLHUVCFOM-UONOGXRCSA-N. The full InChI is InChI=1S/C15H27ClN2OSi/c1-11(2)14-12(3)17-13(15(18-14)19-4)9-20(10-16)7-5-6-8-20/h11,13-14H,5-10H2,1-4H3/t13-,14+/m0/s1.
What are the key properties of (2R,5R)-2-[[1-(chloromethyl)silolan-1-yl]methyl]-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazine?
(2R,5R)-2-[[1-(chloromethyl)silolan-1-yl]methyl]-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazine has a molecular weight of 314.93 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-[[1-(chloromethyl)silolan-1-yl]methyl]-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazine is sourced from PubChem (CID 58427072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).