tert-butyl-[3-methoxy-5-(methoxymethyl)-2-methylidene-6-propoxyoxan-4-yl]oxy-dimethylsilane

C18H36O5Si — CID 139790325

IUPACtert-butyl-[3-methoxy-5-(methoxymethyl)-2-methylidene-6-propoxyoxan-4-yl]oxy-dimethylsilane
SMILESC=C1OC(OCCC)C(COC)C(O[Si](C)(C)C(C)(C)C)C1OC
InChIInChI=1S/C18H36O5Si/c1-10-11-21-17-14(12-19-6)16(15(20-7)13(2)22-17)23-24(8,9)18(3,4)5/h14-17H,2,10-12H2,1,3-9H3
InChIKeyAYVSXXHBZBWVFF-UHFFFAOYSA-N
MW360.57 g/mol
LogP3.95
Rot. Bonds8

About tert-butyl-[3-methoxy-5-(methoxymethyl)-2-methylidene-6-propoxyoxan-4-yl]oxy-dimethylsilane

tert-butyl-[3-methoxy-5-(methoxymethyl)-2-methylidene-6-propoxyoxan-4-yl]oxy-dimethylsilane (PubChem CID 139790325) has the molecular formula C18H36O5Si and a molecular weight of 360.57 g/mol. Its IUPAC name is tert-butyl-[3-methoxy-5-(methoxymethyl)-2-methylidene-6-propoxyoxan-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-methoxy-5-(methoxymethyl)-2-methylidene-6-propoxyoxan-4-yl]oxy-dimethylsilane
PubChem CID139790325
Molecular FormulaC18H36O5Si
Molecular Weight360.57 g/mol
Exact Mass360.23
IUPAC Nametert-butyl-[3-methoxy-5-(methoxymethyl)-2-methylidene-6-propoxyoxan-4-yl]oxy-dimethylsilane
SMILESC=C1OC(OCCC)C(COC)C(O[Si](C)(C)C(C)(C)C)C1OC
InChIInChI=1S/C18H36O5Si/c1-10-11-21-17-14(12-19-6)16(15(20-7)13(2)22-17)23-24(8,9)18(3,4)5/h14-17H,2,10-12H2,1,3-9H3
InChIKeyAYVSXXHBZBWVFF-UHFFFAOYSA-N
XLogP3.95
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 tert-butyl-[3-methoxy-5-(methoxymethyl)-2-methylidene-6-propoxyoxan-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[3-methoxy-5-(methoxymethyl)-2-methylidene-6-propoxyoxan-4-yl]oxy-dimethylsilane (CID 139790325) is tert-butyl-[3-methoxy-5-(methoxymethyl)-2-methylidene-6-propoxyoxan-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-methoxy-5-(methoxymethyl)-2-methylidene-6-propoxyoxan-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[3-methoxy-5-(methoxymethyl)-2-methylidene-6-propoxyoxan-4-yl]oxy-dimethylsilane is C=C1OC(OCCC)C(COC)C(O[Si](C)(C)C(C)(C)C)C1OC.
What is the InChIKey of tert-butyl-[3-methoxy-5-(methoxymethyl)-2-methylidene-6-propoxyoxan-4-yl]oxy-dimethylsilane?
The InChIKey is AYVSXXHBZBWVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O5Si/c1-10-11-21-17-14(12-19-6)16(15(20-7)13(2)22-17)23-24(8,9)18(3,4)5/h14-17H,2,10-12H2,1,3-9H3.
What are the key properties of tert-butyl-[3-methoxy-5-(methoxymethyl)-2-methylidene-6-propoxyoxan-4-yl]oxy-dimethylsilane?
tert-butyl-[3-methoxy-5-(methoxymethyl)-2-methylidene-6-propoxyoxan-4-yl]oxy-dimethylsilane has a molecular weight of 360.57 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-methoxy-5-(methoxymethyl)-2-methylidene-6-propoxyoxan-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 139790325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).