diethoxy-methyl-[3-(oxolan-2-yl)propyl]silane

C12H26O3Si — CID 167313855

IUPACdiethoxy-methyl-[3-(oxolan-2-yl)propyl]silane
SMILESCCO[Si](C)(CCCC1CCCO1)OCC
InChIInChI=1S/C12H26O3Si/c1-4-14-16(3,15-5-2)11-7-9-12-8-6-10-13-12/h12H,4-11H2,1-3H3
InChIKeyFAWUXXWHAZWNBG-UHFFFAOYSA-N
MW246.42 g/mol
LogP3.09
Rot. Bonds8

About diethoxy-methyl-[3-(oxolan-2-yl)propyl]silane

diethoxy-methyl-[3-(oxolan-2-yl)propyl]silane (PubChem CID 167313855) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is diethoxy-methyl-[3-(oxolan-2-yl)propyl]silane.

Molecular Properties

Compound Namediethoxy-methyl-[3-(oxolan-2-yl)propyl]silane
PubChem CID167313855
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Namediethoxy-methyl-[3-(oxolan-2-yl)propyl]silane
SMILESCCO[Si](C)(CCCC1CCCO1)OCC
InChIInChI=1S/C12H26O3Si/c1-4-14-16(3,15-5-2)11-7-9-12-8-6-10-13-12/h12H,4-11H2,1-3H3
InChIKeyFAWUXXWHAZWNBG-UHFFFAOYSA-N
XLogP3.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.09
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-[3-(oxolan-2-yl)propyl]silane?
The IUPAC name of diethoxy-methyl-[3-(oxolan-2-yl)propyl]silane (CID 167313855) is diethoxy-methyl-[3-(oxolan-2-yl)propyl]silane.
What is the SMILES notation for diethoxy-methyl-[3-(oxolan-2-yl)propyl]silane?
The canonical SMILES for diethoxy-methyl-[3-(oxolan-2-yl)propyl]silane is CCO[Si](C)(CCCC1CCCO1)OCC.
What is the InChIKey of diethoxy-methyl-[3-(oxolan-2-yl)propyl]silane?
The InChIKey is FAWUXXWHAZWNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-4-14-16(3,15-5-2)11-7-9-12-8-6-10-13-12/h12H,4-11H2,1-3H3.
What are the key properties of diethoxy-methyl-[3-(oxolan-2-yl)propyl]silane?
diethoxy-methyl-[3-(oxolan-2-yl)propyl]silane has a molecular weight of 246.42 g/mol, XLogP of 3.09, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-methyl-[3-(oxolan-2-yl)propyl]silane is sourced from PubChem (CID 167313855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).