1-(7-oxabicyclo[4.1.0]heptan-1-yloxy)-7-oxabicyclo[4.1.0]heptane;trimethoxysilane

C15H28O6Si — CID 173448734

IUPAC1-(7-oxabicyclo[4.1.0]heptan-1-yloxy)-7-oxabicyclo[4.1.0]heptane;trimethoxysilane
SMILESC1CCC2(OC34CCCCC3O4)OC2C1.CO[SiH](OC)OC
InChIInChI=1S/C12H18O3.C3H10O3Si/c1-3-7-11(9(5-1)13-11)15-12-8-4-2-6-10(12)14-12;1-4-7(5-2)6-3/h9-10H,1-8H2;7H,1-3H3
InChIKeyUNGSVOBPVKGKKS-UHFFFAOYSA-N
MW332.47 g/mol
LogP1.98
Rot. Bonds5

About 1-(7-oxabicyclo[4.1.0]heptan-1-yloxy)-7-oxabicyclo[4.1.0]heptane;trimethoxysilane

1-(7-oxabicyclo[4.1.0]heptan-1-yloxy)-7-oxabicyclo[4.1.0]heptane;trimethoxysilane (PubChem CID 173448734) has the molecular formula C15H28O6Si and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-(7-oxabicyclo[4.1.0]heptan-1-yloxy)-7-oxabicyclo[4.1.0]heptane;trimethoxysilane.

Molecular Properties

Compound Name1-(7-oxabicyclo[4.1.0]heptan-1-yloxy)-7-oxabicyclo[4.1.0]heptane;trimethoxysilane
PubChem CID173448734
Molecular FormulaC15H28O6Si
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name1-(7-oxabicyclo[4.1.0]heptan-1-yloxy)-7-oxabicyclo[4.1.0]heptane;trimethoxysilane
SMILESC1CCC2(OC34CCCCC3O4)OC2C1.CO[SiH](OC)OC
InChIInChI=1S/C12H18O3.C3H10O3Si/c1-3-7-11(9(5-1)13-11)15-12-8-4-2-6-10(12)14-12;1-4-7(5-2)6-3/h9-10H,1-8H2;7H,1-3H3
InChIKeyUNGSVOBPVKGKKS-UHFFFAOYSA-N
XLogP1.98
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(7-oxabicyclo[4.1.0]heptan-1-yloxy)-7-oxabicyclo[4.1.0]heptane;trimethoxysilane?
The IUPAC name of 1-(7-oxabicyclo[4.1.0]heptan-1-yloxy)-7-oxabicyclo[4.1.0]heptane;trimethoxysilane (CID 173448734) is 1-(7-oxabicyclo[4.1.0]heptan-1-yloxy)-7-oxabicyclo[4.1.0]heptane;trimethoxysilane.
What is the SMILES notation for 1-(7-oxabicyclo[4.1.0]heptan-1-yloxy)-7-oxabicyclo[4.1.0]heptane;trimethoxysilane?
The canonical SMILES for 1-(7-oxabicyclo[4.1.0]heptan-1-yloxy)-7-oxabicyclo[4.1.0]heptane;trimethoxysilane is C1CCC2(OC34CCCCC3O4)OC2C1.CO[SiH](OC)OC.
What is the InChIKey of 1-(7-oxabicyclo[4.1.0]heptan-1-yloxy)-7-oxabicyclo[4.1.0]heptane;trimethoxysilane?
The InChIKey is UNGSVOBPVKGKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3.C3H10O3Si/c1-3-7-11(9(5-1)13-11)15-12-8-4-2-6-10(12)14-12;1-4-7(5-2)6-3/h9-10H,1-8H2;7H,1-3H3.
What are the key properties of 1-(7-oxabicyclo[4.1.0]heptan-1-yloxy)-7-oxabicyclo[4.1.0]heptane;trimethoxysilane?
1-(7-oxabicyclo[4.1.0]heptan-1-yloxy)-7-oxabicyclo[4.1.0]heptane;trimethoxysilane has a molecular weight of 332.47 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-oxabicyclo[4.1.0]heptan-1-yloxy)-7-oxabicyclo[4.1.0]heptane;trimethoxysilane is sourced from PubChem (CID 173448734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).