trimethoxy-[6-(oxiran-2-ylmethoxy)heptan-3-yl]silane

C13H28O5Si — CID 89312307

IUPACtrimethoxy-[6-(oxiran-2-ylmethoxy)heptan-3-yl]silane
SMILESCCC(CCC(C)OCC1CO1)[Si](OC)(OC)OC
InChIInChI=1S/C13H28O5Si/c1-6-13(19(14-3,15-4)16-5)8-7-11(2)17-9-12-10-18-12/h11-13H,6-10H2,1-5H3
InChIKeyJFTMKPLMFDSVTE-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.23
Rot. Bonds11

About trimethoxy-[6-(oxiran-2-ylmethoxy)heptan-3-yl]silane

trimethoxy-[6-(oxiran-2-ylmethoxy)heptan-3-yl]silane (PubChem CID 89312307) has the molecular formula C13H28O5Si and a molecular weight of 292.45 g/mol. Its IUPAC name is trimethoxy-[6-(oxiran-2-ylmethoxy)heptan-3-yl]silane.

Molecular Properties

Compound Nametrimethoxy-[6-(oxiran-2-ylmethoxy)heptan-3-yl]silane
PubChem CID89312307
Molecular FormulaC13H28O5Si
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Nametrimethoxy-[6-(oxiran-2-ylmethoxy)heptan-3-yl]silane
SMILESCCC(CCC(C)OCC1CO1)[Si](OC)(OC)OC
InChIInChI=1S/C13H28O5Si/c1-6-13(19(14-3,15-4)16-5)8-7-11(2)17-9-12-10-18-12/h11-13H,6-10H2,1-5H3
InChIKeyJFTMKPLMFDSVTE-UHFFFAOYSA-N
XLogP2.23
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.23
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

2-[7-(oxiran-2-ylmethoxy)octan-2-yloxymethyl]oxirane
CID 101275367
trimethoxy-[3-(oxiran-2-ylmethoxy)undecan-4-yl]silane
CID 175003843
triethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane
CID 87862101
dimethoxy-[3-(oxiran-2-ylmethoxy)pentan-2-yl]silane
CID 173082214
lithium;butane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane
CID 174857617
trimethoxy-[1-(oxetan-2-ylmethoxy)pentan-3-yl]silane
CID 166545041
2-[2-(oxiran-2-ylmethoxy)pentan-3-yloxymethyl]oxirane
CID 101275344
ethyl-[3-(oxiran-2-ylmethoxy)butyl]-dipropoxysilane
CID 152596309
2-[5-(trimethoxymethyl)tridecan-2-yloxymethyl]oxirane
CID 151032004
trimethoxy-[1-(oxiran-2-ylmethoxy)-4-silylbutan-2-yl]silane
CID 175183190
2-(propan-2-yloxymethyl)oxirane
CID 159998967
dibutoxy-[3-(oxiran-2-ylmethoxy)butoxy]silane
CID 175173485

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[6-(oxiran-2-ylmethoxy)heptan-3-yl]silane?
The IUPAC name of trimethoxy-[6-(oxiran-2-ylmethoxy)heptan-3-yl]silane (CID 89312307) is trimethoxy-[6-(oxiran-2-ylmethoxy)heptan-3-yl]silane.
What is the SMILES notation for trimethoxy-[6-(oxiran-2-ylmethoxy)heptan-3-yl]silane?
The canonical SMILES for trimethoxy-[6-(oxiran-2-ylmethoxy)heptan-3-yl]silane is CCC(CCC(C)OCC1CO1)[Si](OC)(OC)OC.
What is the InChIKey of trimethoxy-[6-(oxiran-2-ylmethoxy)heptan-3-yl]silane?
The InChIKey is JFTMKPLMFDSVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O5Si/c1-6-13(19(14-3,15-4)16-5)8-7-11(2)17-9-12-10-18-12/h11-13H,6-10H2,1-5H3.
What are the key properties of trimethoxy-[6-(oxiran-2-ylmethoxy)heptan-3-yl]silane?
trimethoxy-[6-(oxiran-2-ylmethoxy)heptan-3-yl]silane has a molecular weight of 292.45 g/mol, XLogP of 2.23, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[6-(oxiran-2-ylmethoxy)heptan-3-yl]silane is sourced from PubChem (CID 89312307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).