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

C15H27ClN2O2Si — CID 90227671

IUPAC(2R,5R)-2-[[1-(chloromethyl)silolan-1-yl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine
SMILESCOC1=N[C@H](C(C)C)C(OC)=N[C@H]1C[Si]1(CCl)CCCC1
InChIInChI=1S/C15H27ClN2O2Si/c1-11(2)13-15(20-4)17-12(14(18-13)19-3)9-21(10-16)7-5-6-8-21/h11-13H,5-10H2,1-4H3/t12-,13+/m0/s1
InChIKeyXICGKYISQWCXAV-QWHCGFSZSA-N
MW330.93 g/mol
LogP3.50
Rot. Bonds4

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

(2R,5R)-2-[[1-(chloromethyl)silolan-1-yl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine (PubChem CID 90227671) has the molecular formula C15H27ClN2O2Si and a molecular weight of 330.93 g/mol. Its IUPAC name is (2R,5R)-2-[[1-(chloromethyl)silolan-1-yl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine.

Molecular Properties

Compound Name(2R,5R)-2-[[1-(chloromethyl)silolan-1-yl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine
PubChem CID90227671
Molecular FormulaC15H27ClN2O2Si
Molecular Weight330.93 g/mol
Exact Mass330.15
IUPAC Name(2R,5R)-2-[[1-(chloromethyl)silolan-1-yl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine
SMILESCOC1=N[C@H](C(C)C)C(OC)=N[C@H]1C[Si]1(CCl)CCCC1
InChIInChI=1S/C15H27ClN2O2Si/c1-11(2)13-15(20-4)17-12(14(18-13)19-3)9-21(10-16)7-5-6-8-21/h11-13H,5-10H2,1-4H3/t12-,13+/m0/s1
InChIKeyXICGKYISQWCXAV-QWHCGFSZSA-N
XLogP3.50
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.93
LogP ≤ 53.50
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 (2R,5R)-2-[[1-(chloromethyl)silolan-1-yl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine?
The IUPAC name of (2R,5R)-2-[[1-(chloromethyl)silolan-1-yl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine (CID 90227671) is (2R,5R)-2-[[1-(chloromethyl)silolan-1-yl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine.
What is the SMILES notation for (2R,5R)-2-[[1-(chloromethyl)silolan-1-yl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine?
The canonical SMILES for (2R,5R)-2-[[1-(chloromethyl)silolan-1-yl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine is COC1=N[C@H](C(C)C)C(OC)=N[C@H]1C[Si]1(CCl)CCCC1.
What is the InChIKey of (2R,5R)-2-[[1-(chloromethyl)silolan-1-yl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine?
The InChIKey is XICGKYISQWCXAV-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H27ClN2O2Si/c1-11(2)13-15(20-4)17-12(14(18-13)19-3)9-21(10-16)7-5-6-8-21/h11-13H,5-10H2,1-4H3/t12-,13+/m0/s1.
What are the key properties of (2R,5R)-2-[[1-(chloromethyl)silolan-1-yl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine?
(2R,5R)-2-[[1-(chloromethyl)silolan-1-yl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine has a molecular weight of 330.93 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-[[1-(chloromethyl)silolan-1-yl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine is sourced from PubChem (CID 90227671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).