1-[3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]-7-methoxyquinoxalin-2-one

C20H32N2O5Si — CID 86724931

IUPAC1-[3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]-7-methoxyquinoxalin-2-one
SMILESCOCOC(CO[Si](C)(C)C(C)(C)C)Cn1c(=O)cnc2ccc(OC)cc21
InChIInChI=1S/C20H32N2O5Si/c1-20(2,3)28(6,7)27-13-16(26-14-24-4)12-22-18-10-15(25-5)8-9-17(18)21-11-19(22)23/h8-11,16H,12-14H2,1-7H3
InChIKeyYKCCMAXWLJEDPK-UHFFFAOYSA-N
MW408.57 g/mol
LogP3.42
Rot. Bonds9

About 1-[3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]-7-methoxyquinoxalin-2-one

1-[3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]-7-methoxyquinoxalin-2-one (PubChem CID 86724931) has the molecular formula C20H32N2O5Si and a molecular weight of 408.57 g/mol. Its IUPAC name is 1-[3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]-7-methoxyquinoxalin-2-one.

Molecular Properties

Compound Name1-[3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]-7-methoxyquinoxalin-2-one
PubChem CID86724931
Molecular FormulaC20H32N2O5Si
Molecular Weight408.57 g/mol
Exact Mass408.21
IUPAC Name1-[3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]-7-methoxyquinoxalin-2-one
SMILESCOCOC(CO[Si](C)(C)C(C)(C)C)Cn1c(=O)cnc2ccc(OC)cc21
InChIInChI=1S/C20H32N2O5Si/c1-20(2,3)28(6,7)27-13-16(26-14-24-4)12-22-18-10-15(25-5)8-9-17(18)21-11-19(22)23/h8-11,16H,12-14H2,1-7H3
InChIKeyYKCCMAXWLJEDPK-UHFFFAOYSA-N
XLogP3.42
TPSA71.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]-7-methoxyquinoxalin-2-one?
The IUPAC name of 1-[3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]-7-methoxyquinoxalin-2-one (CID 86724931) is 1-[3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]-7-methoxyquinoxalin-2-one.
What is the SMILES notation for 1-[3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]-7-methoxyquinoxalin-2-one?
The canonical SMILES for 1-[3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]-7-methoxyquinoxalin-2-one is COCOC(CO[Si](C)(C)C(C)(C)C)Cn1c(=O)cnc2ccc(OC)cc21.
What is the InChIKey of 1-[3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]-7-methoxyquinoxalin-2-one?
The InChIKey is YKCCMAXWLJEDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O5Si/c1-20(2,3)28(6,7)27-13-16(26-14-24-4)12-22-18-10-15(25-5)8-9-17(18)21-11-19(22)23/h8-11,16H,12-14H2,1-7H3.
What are the key properties of 1-[3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]-7-methoxyquinoxalin-2-one?
1-[3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]-7-methoxyquinoxalin-2-one has a molecular weight of 408.57 g/mol, XLogP of 3.42, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]-7-methoxyquinoxalin-2-one is sourced from PubChem (CID 86724931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).