diethoxy-[1-(3-ethyloxetan-3-yl)-1-propoxypropyl]-methylsilane

C16H34O4Si — CID 22012736

IUPACdiethoxy-[1-(3-ethyloxetan-3-yl)-1-propoxypropyl]-methylsilane
SMILESCCCOC(CC)(C1(CC)COC1)[Si](C)(OCC)OCC
InChIInChI=1S/C16H34O4Si/c1-7-12-18-16(9-3,15(8-2)13-17-14-15)21(6,19-10-4)20-11-5/h7-14H2,1-6H3
InChIKeyFVHHRVLSFBEJEH-UHFFFAOYSA-N
MW318.53 g/mol
LogP3.67
Rot. Bonds11

About diethoxy-[1-(3-ethyloxetan-3-yl)-1-propoxypropyl]-methylsilane

diethoxy-[1-(3-ethyloxetan-3-yl)-1-propoxypropyl]-methylsilane (PubChem CID 22012736) has the molecular formula C16H34O4Si and a molecular weight of 318.53 g/mol. Its IUPAC name is diethoxy-[1-(3-ethyloxetan-3-yl)-1-propoxypropyl]-methylsilane.

Molecular Properties

Compound Namediethoxy-[1-(3-ethyloxetan-3-yl)-1-propoxypropyl]-methylsilane
PubChem CID22012736
Molecular FormulaC16H34O4Si
Molecular Weight318.53 g/mol
Exact Mass318.22
IUPAC Namediethoxy-[1-(3-ethyloxetan-3-yl)-1-propoxypropyl]-methylsilane
SMILESCCCOC(CC)(C1(CC)COC1)[Si](C)(OCC)OCC
InChIInChI=1S/C16H34O4Si/c1-7-12-18-16(9-3,15(8-2)13-17-14-15)21(6,19-10-4)20-11-5/h7-14H2,1-6H3
InChIKeyFVHHRVLSFBEJEH-UHFFFAOYSA-N
XLogP3.67
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxy-[1-(3-ethyloxetan-3-yl)-1-propoxypropyl]-methylsilane?
The IUPAC name of diethoxy-[1-(3-ethyloxetan-3-yl)-1-propoxypropyl]-methylsilane (CID 22012736) is diethoxy-[1-(3-ethyloxetan-3-yl)-1-propoxypropyl]-methylsilane.
What is the SMILES notation for diethoxy-[1-(3-ethyloxetan-3-yl)-1-propoxypropyl]-methylsilane?
The canonical SMILES for diethoxy-[1-(3-ethyloxetan-3-yl)-1-propoxypropyl]-methylsilane is CCCOC(CC)(C1(CC)COC1)[Si](C)(OCC)OCC.
What is the InChIKey of diethoxy-[1-(3-ethyloxetan-3-yl)-1-propoxypropyl]-methylsilane?
The InChIKey is FVHHRVLSFBEJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4Si/c1-7-12-18-16(9-3,15(8-2)13-17-14-15)21(6,19-10-4)20-11-5/h7-14H2,1-6H3.
What are the key properties of diethoxy-[1-(3-ethyloxetan-3-yl)-1-propoxypropyl]-methylsilane?
diethoxy-[1-(3-ethyloxetan-3-yl)-1-propoxypropyl]-methylsilane has a molecular weight of 318.53 g/mol, XLogP of 3.67, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[1-(3-ethyloxetan-3-yl)-1-propoxypropyl]-methylsilane is sourced from PubChem (CID 22012736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).