trimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]pentadecan-2-yl]oxysilane

C25H50O2S2Si — CID 25224254

IUPACtrimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]pentadecan-2-yl]oxysilane
SMILESCCCCCCCCCCCCC[C@H](CC1(C[C@@H]2CO2)SCCCS1)O[Si](C)(C)C
InChIInChI=1S/C25H50O2S2Si/c1-5-6-7-8-9-10-11-12-13-14-15-17-23(27-30(2,3)4)20-25(21-24-22-26-24)28-18-16-19-29-25/h23-24H,5-22H2,1-4H3/t23-,24-/m1/s1
InChIKeyJZVURHSDMHPPAW-DNQXCXABSA-N
MW474.89 g/mol
LogP8.65
Rot. Bonds18

About trimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]pentadecan-2-yl]oxysilane

trimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]pentadecan-2-yl]oxysilane (PubChem CID 25224254) has the molecular formula C25H50O2S2Si and a molecular weight of 474.89 g/mol. Its IUPAC name is trimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]pentadecan-2-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]pentadecan-2-yl]oxysilane
PubChem CID25224254
Molecular FormulaC25H50O2S2Si
Molecular Weight474.89 g/mol
Exact Mass474.30
IUPAC Nametrimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]pentadecan-2-yl]oxysilane
SMILESCCCCCCCCCCCCC[C@H](CC1(C[C@@H]2CO2)SCCCS1)O[Si](C)(C)C
InChIInChI=1S/C25H50O2S2Si/c1-5-6-7-8-9-10-11-12-13-14-15-17-23(27-30(2,3)4)20-25(21-24-22-26-24)28-18-16-19-29-25/h23-24H,5-22H2,1-4H3/t23-,24-/m1/s1
InChIKeyJZVURHSDMHPPAW-DNQXCXABSA-N
XLogP8.65
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.89
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(icosan-9-yloxymethyl)oxirane
CID 19926010
decan-5-yloxy(trimethyl)silane
CID 553210
2-(2-ethylhexadecyl)oxirane
CID 174869726
2-(2,3-dimethyltridecyl)oxirane
CID 56626269
2-(tetradecan-4-yloxymethyl)oxirane
CID 172858851
2-[1-(oxiran-2-ylmethoxy)pentadecoxymethyl]oxirane
CID 176729435
6-(oxiran-2-ylmethyl)dodecyl-undecylphosphane
CID 20723721
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[2-[2-(4-methoxyphenyl)ethyl]-1,3-dithian-2-yl]pentadecan-2-ol
CID 71624026
(2R)-1-[(2R)-oxiran-2-yl]heptan-2-ol
CID 129387071
trimethyl(1-trimethylsilyloxyoctan-3-yloxy)silane
CID 14213504
6-(oxiran-2-ylmethyl)dodecyl-undecylphosphane;vanadium
CID 20723720
N,N-dimethyl-1-(oxiran-2-yl)tridecan-2-amine
CID 19003491

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]pentadecan-2-yl]oxysilane?
The IUPAC name of trimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]pentadecan-2-yl]oxysilane (CID 25224254) is trimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]pentadecan-2-yl]oxysilane.
What is the SMILES notation for trimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]pentadecan-2-yl]oxysilane?
The canonical SMILES for trimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]pentadecan-2-yl]oxysilane is CCCCCCCCCCCCC[C@H](CC1(C[C@@H]2CO2)SCCCS1)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]pentadecan-2-yl]oxysilane?
The InChIKey is JZVURHSDMHPPAW-DNQXCXABSA-N. The full InChI is InChI=1S/C25H50O2S2Si/c1-5-6-7-8-9-10-11-12-13-14-15-17-23(27-30(2,3)4)20-25(21-24-22-26-24)28-18-16-19-29-25/h23-24H,5-22H2,1-4H3/t23-,24-/m1/s1.
What are the key properties of trimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]pentadecan-2-yl]oxysilane?
trimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]pentadecan-2-yl]oxysilane has a molecular weight of 474.89 g/mol, XLogP of 8.65, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]pentadecan-2-yl]oxysilane is sourced from PubChem (CID 25224254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).