diethoxymethyl-hydroxy-methyl-(oxiran-2-ylmethyl)silane;propan-1-amine

C12H29NO4Si — CID 174851275

IUPACdiethoxymethyl-hydroxy-methyl-(oxiran-2-ylmethyl)silane;propan-1-amine
SMILESCCCN.CCOC(OCC)[Si](C)(O)CC1CO1
InChIInChI=1S/C9H20O4Si.C3H9N/c1-4-11-9(12-5-2)14(3,10)7-8-6-13-8;1-2-3-4/h8-10H,4-7H2,1-3H3;2-4H2,1H3
InChIKeyJGKADTXCFGHNTL-UHFFFAOYSA-N
MW279.45 g/mol
LogP1.25
Rot. Bonds8

About diethoxymethyl-hydroxy-methyl-(oxiran-2-ylmethyl)silane;propan-1-amine

diethoxymethyl-hydroxy-methyl-(oxiran-2-ylmethyl)silane;propan-1-amine (PubChem CID 174851275) has the molecular formula C12H29NO4Si and a molecular weight of 279.45 g/mol. Its IUPAC name is diethoxymethyl-hydroxy-methyl-(oxiran-2-ylmethyl)silane;propan-1-amine.

Molecular Properties

Compound Namediethoxymethyl-hydroxy-methyl-(oxiran-2-ylmethyl)silane;propan-1-amine
PubChem CID174851275
Molecular FormulaC12H29NO4Si
Molecular Weight279.45 g/mol
Exact Mass279.19
IUPAC Namediethoxymethyl-hydroxy-methyl-(oxiran-2-ylmethyl)silane;propan-1-amine
SMILESCCCN.CCOC(OCC)[Si](C)(O)CC1CO1
InChIInChI=1S/C9H20O4Si.C3H9N/c1-4-11-9(12-5-2)14(3,10)7-8-6-13-8;1-2-3-4/h8-10H,4-7H2,1-3H3;2-4H2,1H3
InChIKeyJGKADTXCFGHNTL-UHFFFAOYSA-N
XLogP1.25
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tris(ethylperoxy)-(oxiran-2-ylmethyl)silane
CID 141091054
[amino-(diethoxymethyl)-methylsilyl]cyclohexane
CID 175320910
dimethyl-(oxiran-2-ylmethyl)-silyloxysilane
CID 123160821
ethoxyethane;2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2-diol
CID 146198033
2-(oxiran-2-ylmethoxymethyl)oxirane;silane;3-triethoxysilylpropan-1-amine
CID 174864417
2-[[1-ethoxy-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]methyl]oxirane
CID 150746086
2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol
CID 22222974
1-(oxiran-2-ylmethoxy)ethanamine
CID 130292873
dihydroxy-[2-(oxiran-2-ylmethoxy)ethyl]-propylsilane
CID 142708401
2-(oxiran-2-ylmethoxy)hexan-3-amine
CID 163429320
diethoxy-[oxiran-2-ylmethoxy(triethoxysilyl)methyl]-propylsilane
CID 150689843
bis(oxiran-2-ylmethyl) 2-ethylpropanedioate
CID 141095093

Frequently Asked Questions

What is the IUPAC name of diethoxymethyl-hydroxy-methyl-(oxiran-2-ylmethyl)silane;propan-1-amine?
The IUPAC name of diethoxymethyl-hydroxy-methyl-(oxiran-2-ylmethyl)silane;propan-1-amine (CID 174851275) is diethoxymethyl-hydroxy-methyl-(oxiran-2-ylmethyl)silane;propan-1-amine.
What is the SMILES notation for diethoxymethyl-hydroxy-methyl-(oxiran-2-ylmethyl)silane;propan-1-amine?
The canonical SMILES for diethoxymethyl-hydroxy-methyl-(oxiran-2-ylmethyl)silane;propan-1-amine is CCCN.CCOC(OCC)[Si](C)(O)CC1CO1.
What is the InChIKey of diethoxymethyl-hydroxy-methyl-(oxiran-2-ylmethyl)silane;propan-1-amine?
The InChIKey is JGKADTXCFGHNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4Si.C3H9N/c1-4-11-9(12-5-2)14(3,10)7-8-6-13-8;1-2-3-4/h8-10H,4-7H2,1-3H3;2-4H2,1H3.
What are the key properties of diethoxymethyl-hydroxy-methyl-(oxiran-2-ylmethyl)silane;propan-1-amine?
diethoxymethyl-hydroxy-methyl-(oxiran-2-ylmethyl)silane;propan-1-amine has a molecular weight of 279.45 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxymethyl-hydroxy-methyl-(oxiran-2-ylmethyl)silane;propan-1-amine is sourced from PubChem (CID 174851275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).