[1-methoxy-1-(oxiran-2-yl)-3-(oxiran-2-ylmethoxy)propan-2-yl] N-(3-triethoxysilylpropyl)carbamate

C19H37NO9Si — CID 87670478

IUPAC[1-methoxy-1-(oxiran-2-yl)-3-(oxiran-2-ylmethoxy)propan-2-yl] N-(3-triethoxysilylpropyl)carbamate
SMILESCCO[Si](CCCNC(=O)OC(COCC1CO1)C(OC)C1CO1)(OCC)OCC
InChIInChI=1S/C19H37NO9Si/c1-5-26-30(27-6-2,28-7-3)10-8-9-20-19(21)29-17(13-23-11-15-12-24-15)18(22-4)16-14-25-16/h15-18H,5-14H2,1-4H3,(H,20,21)
InChIKeyVZAMRPXVXGVATJ-UHFFFAOYSA-N
MW451.59 g/mol
LogP1.35
Rot. Bonds18

About [1-methoxy-1-(oxiran-2-yl)-3-(oxiran-2-ylmethoxy)propan-2-yl] N-(3-triethoxysilylpropyl)carbamate

[1-methoxy-1-(oxiran-2-yl)-3-(oxiran-2-ylmethoxy)propan-2-yl] N-(3-triethoxysilylpropyl)carbamate (PubChem CID 87670478) has the molecular formula C19H37NO9Si and a molecular weight of 451.59 g/mol. Its IUPAC name is [1-methoxy-1-(oxiran-2-yl)-3-(oxiran-2-ylmethoxy)propan-2-yl] N-(3-triethoxysilylpropyl)carbamate.

Molecular Properties

Compound Name[1-methoxy-1-(oxiran-2-yl)-3-(oxiran-2-ylmethoxy)propan-2-yl] N-(3-triethoxysilylpropyl)carbamate
PubChem CID87670478
Molecular FormulaC19H37NO9Si
Molecular Weight451.59 g/mol
Exact Mass451.22
IUPAC Name[1-methoxy-1-(oxiran-2-yl)-3-(oxiran-2-ylmethoxy)propan-2-yl] N-(3-triethoxysilylpropyl)carbamate
SMILESCCO[Si](CCCNC(=O)OC(COCC1CO1)C(OC)C1CO1)(OCC)OCC
InChIInChI=1S/C19H37NO9Si/c1-5-26-30(27-6-2,28-7-3)10-8-9-20-19(21)29-17(13-23-11-15-12-24-15)18(22-4)16-14-25-16/h15-18H,5-14H2,1-4H3,(H,20,21)
InChIKeyVZAMRPXVXGVATJ-UHFFFAOYSA-N
XLogP1.35
TPSA109.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

CID 59804570
CID 59804570
propan-2-yl N-(3-triethoxysilylpropyl)carbamate
CID 87069299
2-(oxiran-2-ylmethoxymethyl)oxirane;silane;3-triethoxysilylpropan-1-amine
CID 174864417
butan-2-one;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174775957
propane-1,2,3-triol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174916618
2-[ethoxy-(2-hydroxyethoxy)-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol
CID 87723371
propyl 2-methylprop-2-enoate;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174676531
oxiran-2-ylmethyl N-(triethoxysilylmethyl)carbamate
CID 162452434
propane-1-thiol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174889951
ethyl N-[3-(oxiran-2-ylmethoxy)propyl]-N-(3-triethoxysilylpropyl)carbamate
CID 87376447
diethoxy-methyl-[1-(oxiran-2-ylmethoxy)propyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 87666631
1-(oxiran-2-ylmethoxy)-3-triethoxysilylpropan-2-amine
CID 141352080

Frequently Asked Questions

What is the IUPAC name of [1-methoxy-1-(oxiran-2-yl)-3-(oxiran-2-ylmethoxy)propan-2-yl] N-(3-triethoxysilylpropyl)carbamate?
The IUPAC name of [1-methoxy-1-(oxiran-2-yl)-3-(oxiran-2-ylmethoxy)propan-2-yl] N-(3-triethoxysilylpropyl)carbamate (CID 87670478) is [1-methoxy-1-(oxiran-2-yl)-3-(oxiran-2-ylmethoxy)propan-2-yl] N-(3-triethoxysilylpropyl)carbamate.
What is the SMILES notation for [1-methoxy-1-(oxiran-2-yl)-3-(oxiran-2-ylmethoxy)propan-2-yl] N-(3-triethoxysilylpropyl)carbamate?
The canonical SMILES for [1-methoxy-1-(oxiran-2-yl)-3-(oxiran-2-ylmethoxy)propan-2-yl] N-(3-triethoxysilylpropyl)carbamate is CCO[Si](CCCNC(=O)OC(COCC1CO1)C(OC)C1CO1)(OCC)OCC.
What is the InChIKey of [1-methoxy-1-(oxiran-2-yl)-3-(oxiran-2-ylmethoxy)propan-2-yl] N-(3-triethoxysilylpropyl)carbamate?
The InChIKey is VZAMRPXVXGVATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO9Si/c1-5-26-30(27-6-2,28-7-3)10-8-9-20-19(21)29-17(13-23-11-15-12-24-15)18(22-4)16-14-25-16/h15-18H,5-14H2,1-4H3,(H,20,21).
What are the key properties of [1-methoxy-1-(oxiran-2-yl)-3-(oxiran-2-ylmethoxy)propan-2-yl] N-(3-triethoxysilylpropyl)carbamate?
[1-methoxy-1-(oxiran-2-yl)-3-(oxiran-2-ylmethoxy)propan-2-yl] N-(3-triethoxysilylpropyl)carbamate has a molecular weight of 451.59 g/mol, XLogP of 1.35, 18 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methoxy-1-(oxiran-2-yl)-3-(oxiran-2-ylmethoxy)propan-2-yl] N-(3-triethoxysilylpropyl)carbamate is sourced from PubChem (CID 87670478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).