3-[1-(3-ethyloxetan-3-yl)ethoxy]propyl-triphenoxysilane

C28H34O5Si — CID 90384082

IUPAC3-[1-(3-ethyloxetan-3-yl)ethoxy]propyl-triphenoxysilane
SMILESCCC1(C(C)OCCC[Si](Oc2ccccc2)(Oc2ccccc2)Oc2ccccc2)COC1
InChIInChI=1S/C28H34O5Si/c1-3-28(22-29-23-28)24(2)30-20-13-21-34(31-25-14-7-4-8-15-25,32-26-16-9-5-10-17-26)33-27-18-11-6-12-19-27/h4-12,14-19,24H,3,13,20-23H2,1-2H3
InChIKeyMXRGJLTVPFVZRU-UHFFFAOYSA-N
MW478.66 g/mol
LogP6.38
Rot. Bonds13

About 3-[1-(3-ethyloxetan-3-yl)ethoxy]propyl-triphenoxysilane

3-[1-(3-ethyloxetan-3-yl)ethoxy]propyl-triphenoxysilane (PubChem CID 90384082) has the molecular formula C28H34O5Si and a molecular weight of 478.66 g/mol. Its IUPAC name is 3-[1-(3-ethyloxetan-3-yl)ethoxy]propyl-triphenoxysilane.

Molecular Properties

Compound Name3-[1-(3-ethyloxetan-3-yl)ethoxy]propyl-triphenoxysilane
PubChem CID90384082
Molecular FormulaC28H34O5Si
Molecular Weight478.66 g/mol
Exact Mass478.22
IUPAC Name3-[1-(3-ethyloxetan-3-yl)ethoxy]propyl-triphenoxysilane
SMILESCCC1(C(C)OCCC[Si](Oc2ccccc2)(Oc2ccccc2)Oc2ccccc2)COC1
InChIInChI=1S/C28H34O5Si/c1-3-28(22-29-23-28)24(2)30-20-13-21-34(31-25-14-7-4-8-15-25,32-26-16-9-5-10-17-26)33-27-18-11-6-12-19-27/h4-12,14-19,24H,3,13,20-23H2,1-2H3
InChIKeyMXRGJLTVPFVZRU-UHFFFAOYSA-N
XLogP6.38
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.66
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethoxy-1-phenoxyethyl)-3-ethyloxetane
CID 146309422
[3-butoxy-3-(oxetan-2-yl)propyl]-triphenoxysilane
CID 67772829
methyl-[3-(2-methylprop-2-enoxy)propyl]-diphenoxysilane
CID 69047162
3-[diethoxy(phenoxy)silyl]propyl 2-methylprop-2-enoate
CID 139977935
butyl-diiodo-phenoxysilane
CID 140745005
[2-(2-ethyl-1,3-dioxan-2-yl)phenoxy]-diphenoxy-propylsilane
CID 141170369
4-[diethyl(phenoxy)silyl]butyl-diethyl-phenoxysilane
CID 66773415
butyl-iodo-methyl-phenoxysilane
CID 154487021
diiodo-octyl-phenoxysilane
CID 140744994
3-ethyl-3-[(3-ethyloxetan-3-yl)-(2,3,5,6-tetramethyl-4-phenylphenoxy)methyl]oxetane
CID 141274782
1-[1-(3-phenoxypropyl)cyclopropyl]ethanol
CID 106798155
(3-ethyloxetan-3-yl)methanol;3-methyl-3-(phenoxymethyl)oxetane
CID 160629568

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-ethyloxetan-3-yl)ethoxy]propyl-triphenoxysilane?
The IUPAC name of 3-[1-(3-ethyloxetan-3-yl)ethoxy]propyl-triphenoxysilane (CID 90384082) is 3-[1-(3-ethyloxetan-3-yl)ethoxy]propyl-triphenoxysilane.
What is the SMILES notation for 3-[1-(3-ethyloxetan-3-yl)ethoxy]propyl-triphenoxysilane?
The canonical SMILES for 3-[1-(3-ethyloxetan-3-yl)ethoxy]propyl-triphenoxysilane is CCC1(C(C)OCCC[Si](Oc2ccccc2)(Oc2ccccc2)Oc2ccccc2)COC1.
What is the InChIKey of 3-[1-(3-ethyloxetan-3-yl)ethoxy]propyl-triphenoxysilane?
The InChIKey is MXRGJLTVPFVZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O5Si/c1-3-28(22-29-23-28)24(2)30-20-13-21-34(31-25-14-7-4-8-15-25,32-26-16-9-5-10-17-26)33-27-18-11-6-12-19-27/h4-12,14-19,24H,3,13,20-23H2,1-2H3.
What are the key properties of 3-[1-(3-ethyloxetan-3-yl)ethoxy]propyl-triphenoxysilane?
3-[1-(3-ethyloxetan-3-yl)ethoxy]propyl-triphenoxysilane has a molecular weight of 478.66 g/mol, XLogP of 6.38, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-ethyloxetan-3-yl)ethoxy]propyl-triphenoxysilane is sourced from PubChem (CID 90384082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).