diethoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]silane;dimethoxy-methyl-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane

C23H46O8Si2 — CID 159341783

IUPACdiethoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]silane;dimethoxy-methyl-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane
SMILESCCO[Si](C)(OCC)OC(C)C1CCC2OC2C1.CO[Si](C)(OC)OCC1CCC2OC2C1
InChIInChI=1S/C13H26O4Si.C10H20O4Si/c1-5-14-18(4,15-6-2)17-10(3)11-7-8-12-13(9-11)16-12;1-11-15(3,12-2)13-7-8-4-5-9-10(6-8)14-9/h10-13H,5-9H2,1-4H3;8-10H,4-7H2,1-3H3
InChIKeyLGFQELRBQGJYLZ-UHFFFAOYSA-N
MW506.79 g/mol
LogP4.03
Rot. Bonds12

About diethoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]silane;dimethoxy-methyl-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane

diethoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]silane;dimethoxy-methyl-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane (PubChem CID 159341783) has the molecular formula C23H46O8Si2 and a molecular weight of 506.79 g/mol. Its IUPAC name is diethoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]silane;dimethoxy-methyl-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane.

Molecular Properties

Compound Namediethoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]silane;dimethoxy-methyl-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane
PubChem CID159341783
Molecular FormulaC23H46O8Si2
Molecular Weight506.79 g/mol
Exact Mass506.27
IUPAC Namediethoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]silane;dimethoxy-methyl-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane
SMILESCCO[Si](C)(OCC)OC(C)C1CCC2OC2C1.CO[Si](C)(OC)OCC1CCC2OC2C1
InChIInChI=1S/C13H26O4Si.C10H20O4Si/c1-5-14-18(4,15-6-2)17-10(3)11-7-8-12-13(9-11)16-12;1-11-15(3,12-2)13-7-8-4-5-9-10(6-8)14-9/h10-13H,5-9H2,1-4H3;8-10H,4-7H2,1-3H3
InChIKeyLGFQELRBQGJYLZ-UHFFFAOYSA-N
XLogP4.03
TPSA80.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.79
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

cyclohexane;ethyl-dimethoxy-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane
CID 174896881
3-(ethoxymethyl)-7-oxabicyclo[4.1.0]heptane
CID 23517822
triethoxy-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silane
CID 22169296
ethyl dimethyl 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl silicate
CID 87895424
diethoxy-hydroxy-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yloxy]silane
CID 140618851
triethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99738442
3-[1-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxy)propyl]-7-oxabicyclo[4.1.0]heptane
CID 141099335
triethoxy(propyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 175326463
1-cyclopropylethoxy-ethoxy-dimethylsilane
CID 160732775
bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy-ethyl-methoxy-methylsilane
CID 151154534
trimethyl 1-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yl silicate
CID 174784133
triethoxy-[[ethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]methyl]silane
CID 140798704

Frequently Asked Questions

What is the IUPAC name of diethoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]silane;dimethoxy-methyl-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane?
The IUPAC name of diethoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]silane;dimethoxy-methyl-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane (CID 159341783) is diethoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]silane;dimethoxy-methyl-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane.
What is the SMILES notation for diethoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]silane;dimethoxy-methyl-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane?
The canonical SMILES for diethoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]silane;dimethoxy-methyl-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane is CCO[Si](C)(OCC)OC(C)C1CCC2OC2C1.CO[Si](C)(OC)OCC1CCC2OC2C1.
What is the InChIKey of diethoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]silane;dimethoxy-methyl-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane?
The InChIKey is LGFQELRBQGJYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4Si.C10H20O4Si/c1-5-14-18(4,15-6-2)17-10(3)11-7-8-12-13(9-11)16-12;1-11-15(3,12-2)13-7-8-4-5-9-10(6-8)14-9/h10-13H,5-9H2,1-4H3;8-10H,4-7H2,1-3H3.
What are the key properties of diethoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]silane;dimethoxy-methyl-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane?
diethoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]silane;dimethoxy-methyl-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane has a molecular weight of 506.79 g/mol, XLogP of 4.03, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]silane;dimethoxy-methyl-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane is sourced from PubChem (CID 159341783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).