diethoxy-[3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)butyl]silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane

C26H52O7Si2 — CID 173326258

IUPACdiethoxy-[3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)butyl]silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
SMILESCCO[SiH](CCC(C)C1CCC2(C)OC2C1)OCC.CO[Si](CCC1CCC2OC2C1)(OC)OC
InChIInChI=1S/C15H30O3Si.C11H22O4Si/c1-5-16-19(17-6-2)10-8-12(3)13-7-9-15(4)14(11-13)18-15;1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10/h12-14,19H,5-11H2,1-4H3;9-11H,4-8H2,1-3H3
InChIKeySUHVZTCPWBTERZ-UHFFFAOYSA-N
MW532.87 g/mol
LogP5.09
Rot. Bonds14

About diethoxy-[3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)butyl]silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane

diethoxy-[3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)butyl]silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane (PubChem CID 173326258) has the molecular formula C26H52O7Si2 and a molecular weight of 532.87 g/mol. Its IUPAC name is diethoxy-[3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)butyl]silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane.

Molecular Properties

Compound Namediethoxy-[3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)butyl]silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
PubChem CID173326258
Molecular FormulaC26H52O7Si2
Molecular Weight532.87 g/mol
Exact Mass532.33
IUPAC Namediethoxy-[3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)butyl]silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
SMILESCCO[SiH](CCC(C)C1CCC2(C)OC2C1)OCC.CO[Si](CCC1CCC2OC2C1)(OC)OC
InChIInChI=1S/C15H30O3Si.C11H22O4Si/c1-5-16-19(17-6-2)10-8-12(3)13-7-9-15(4)14(11-13)18-15;1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10/h12-14,19H,5-11H2,1-4H3;9-11H,4-8H2,1-3H3
InChIKeySUHVZTCPWBTERZ-UHFFFAOYSA-N
XLogP5.09
TPSA71.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.87
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze diethoxy-[3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)butyl]silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of diethoxy-[3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)butyl]silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The IUPAC name of diethoxy-[3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)butyl]silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane (CID 173326258) is diethoxy-[3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)butyl]silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane.
What is the SMILES notation for diethoxy-[3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)butyl]silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The canonical SMILES for diethoxy-[3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)butyl]silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane is CCO[SiH](CCC(C)C1CCC2(C)OC2C1)OCC.CO[Si](CCC1CCC2OC2C1)(OC)OC.
What is the InChIKey of diethoxy-[3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)butyl]silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The InChIKey is SUHVZTCPWBTERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3Si.C11H22O4Si/c1-5-16-19(17-6-2)10-8-12(3)13-7-9-15(4)14(11-13)18-15;1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10/h12-14,19H,5-11H2,1-4H3;9-11H,4-8H2,1-3H3.
What are the key properties of diethoxy-[3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)butyl]silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
diethoxy-[3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)butyl]silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane has a molecular weight of 532.87 g/mol, XLogP of 5.09, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)butyl]silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane is sourced from PubChem (CID 173326258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).