diethoxy-methyl-[(2-methyloxasilinan-2-yl)methyl]silane;methane

C12H30O3Si2 — CID 158923387

IUPACdiethoxy-methyl-[(2-methyloxasilinan-2-yl)methyl]silane;methane
SMILESC.CCO[Si](C)(C[Si]1(C)CCCCO1)OCC
InChIInChI=1S/C11H26O3Si2.CH4/c1-5-12-16(4,13-6-2)11-15(3)10-8-7-9-14-15;/h5-11H2,1-4H3;1H4
InChIKeyJICWNZTUAZAKJI-UHFFFAOYSA-N
MW278.54 g/mol
LogP3.69
Rot. Bonds6

About diethoxy-methyl-[(2-methyloxasilinan-2-yl)methyl]silane;methane

diethoxy-methyl-[(2-methyloxasilinan-2-yl)methyl]silane;methane (PubChem CID 158923387) has the molecular formula C12H30O3Si2 and a molecular weight of 278.54 g/mol. Its IUPAC name is diethoxy-methyl-[(2-methyloxasilinan-2-yl)methyl]silane;methane.

Molecular Properties

Compound Namediethoxy-methyl-[(2-methyloxasilinan-2-yl)methyl]silane;methane
PubChem CID158923387
Molecular FormulaC12H30O3Si2
Molecular Weight278.54 g/mol
Exact Mass278.17
IUPAC Namediethoxy-methyl-[(2-methyloxasilinan-2-yl)methyl]silane;methane
SMILESC.CCO[Si](C)(C[Si]1(C)CCCCO1)OCC
InChIInChI=1S/C11H26O3Si2.CH4/c1-5-12-16(4,13-6-2)11-15(3)10-8-7-9-14-15;/h5-11H2,1-4H3;1H4
InChIKeyJICWNZTUAZAKJI-UHFFFAOYSA-N
XLogP3.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.54
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-[(2-methyloxasilinan-2-yl)methyl]silane;methane?
The IUPAC name of diethoxy-methyl-[(2-methyloxasilinan-2-yl)methyl]silane;methane (CID 158923387) is diethoxy-methyl-[(2-methyloxasilinan-2-yl)methyl]silane;methane.
What is the SMILES notation for diethoxy-methyl-[(2-methyloxasilinan-2-yl)methyl]silane;methane?
The canonical SMILES for diethoxy-methyl-[(2-methyloxasilinan-2-yl)methyl]silane;methane is C.CCO[Si](C)(C[Si]1(C)CCCCO1)OCC.
What is the InChIKey of diethoxy-methyl-[(2-methyloxasilinan-2-yl)methyl]silane;methane?
The InChIKey is JICWNZTUAZAKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O3Si2.CH4/c1-5-12-16(4,13-6-2)11-15(3)10-8-7-9-14-15;/h5-11H2,1-4H3;1H4.
What are the key properties of diethoxy-methyl-[(2-methyloxasilinan-2-yl)methyl]silane;methane?
diethoxy-methyl-[(2-methyloxasilinan-2-yl)methyl]silane;methane has a molecular weight of 278.54 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-methyl-[(2-methyloxasilinan-2-yl)methyl]silane;methane is sourced from PubChem (CID 158923387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).