2-[1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propoxymethyl]oxirane

C17H34O5Si — CID 174280958

IUPAC2-[1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propoxymethyl]oxirane
SMILESCCCC1(OC)C(C(CC)OCC2CO2)CCC[Si]1(OC)OC
InChIInChI=1S/C17H34O5Si/c1-6-10-17(18-3)15(9-8-11-23(17,19-4)20-5)16(7-2)22-13-14-12-21-14/h14-16H,6-13H2,1-5H3
InChIKeyVWGNMKWRZVYOCP-UHFFFAOYSA-N
MW346.54 g/mol
LogP3.05
Rot. Bonds10

About 2-[1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propoxymethyl]oxirane

2-[1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propoxymethyl]oxirane (PubChem CID 174280958) has the molecular formula C17H34O5Si and a molecular weight of 346.54 g/mol. Its IUPAC name is 2-[1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propoxymethyl]oxirane.

Molecular Properties

Compound Name2-[1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propoxymethyl]oxirane
PubChem CID174280958
Molecular FormulaC17H34O5Si
Molecular Weight346.54 g/mol
Exact Mass346.22
IUPAC Name2-[1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propoxymethyl]oxirane
SMILESCCCC1(OC)C(C(CC)OCC2CO2)CCC[Si]1(OC)OC
InChIInChI=1S/C17H34O5Si/c1-6-10-17(18-3)15(9-8-11-23(17,19-4)20-5)16(7-2)22-13-14-12-21-14/h14-16H,6-13H2,1-5H3
InChIKeyVWGNMKWRZVYOCP-UHFFFAOYSA-N
XLogP3.05
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[dimethoxy(methyl)silyl]propan-1-ol;1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propyl 2-methylprop-2-enoate
CID 174978030
3-methyloxetane;1,1,2,3-tetramethoxy-2-propylsilinane
CID 174747798
3-(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxetane
CID 174604447
3-chloro-1,1,2-trimethoxy-2-propylsilinane
CID 174351373
1,1,2-trimethoxy-3-[(2-methylpropan-2-yl)oxy]-2-propylsilinane
CID 174791973
2-(oxiran-2-ylmethoxymethyl)oxirane;1,1,2-trimethoxy-2-propylsilinane
CID 174317269
1,1,2-trimethoxy-3-(oxiran-2-ylmethyl)-2-propylsilinan-4-one
CID 174793020
1,1,2-trimethoxy-N,N-dioctyl-2-propylsilinan-3-amine
CID 174751630
3-ethyl-3-[(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxymethoxymethyl]oxetane
CID 174779788
2-[4-(1,1,2-trimethoxysilinan-2-yl)hexoxymethyl]oxirane
CID 174249730
2-[2-(1,1,2-trimethoxysilinan-2-yl)butyl]oxirane
CID 174781449
2-[1-(oxiran-2-yl)butoxymethyl]oxirane
CID 151610662

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propoxymethyl]oxirane?
The IUPAC name of 2-[1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propoxymethyl]oxirane (CID 174280958) is 2-[1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propoxymethyl]oxirane.
What is the SMILES notation for 2-[1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propoxymethyl]oxirane?
The canonical SMILES for 2-[1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propoxymethyl]oxirane is CCCC1(OC)C(C(CC)OCC2CO2)CCC[Si]1(OC)OC.
What is the InChIKey of 2-[1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propoxymethyl]oxirane?
The InChIKey is VWGNMKWRZVYOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O5Si/c1-6-10-17(18-3)15(9-8-11-23(17,19-4)20-5)16(7-2)22-13-14-12-21-14/h14-16H,6-13H2,1-5H3.
What are the key properties of 2-[1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propoxymethyl]oxirane?
2-[1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propoxymethyl]oxirane has a molecular weight of 346.54 g/mol, XLogP of 3.05, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propoxymethyl]oxirane is sourced from PubChem (CID 174280958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).