2,2-dimethoxyethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane

C12H24O3Si — CID 123346653

IUPAC2,2-dimethoxyethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
SMILESCOC(C[SiH2]CCC1CCC2OC2C1)OC
InChIInChI=1S/C12H24O3Si/c1-13-12(14-2)8-16-6-5-9-3-4-10-11(7-9)15-10/h9-12H,3-8,16H2,1-2H3
InChIKeyZDYGDQRUJGWFLP-UHFFFAOYSA-N
MW244.41 g/mol
LogP1.57
Rot. Bonds7

About 2,2-dimethoxyethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane

2,2-dimethoxyethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane (PubChem CID 123346653) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is 2,2-dimethoxyethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane.

Molecular Properties

Compound Name2,2-dimethoxyethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
PubChem CID123346653
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name2,2-dimethoxyethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
SMILESCOC(C[SiH2]CCC1CCC2OC2C1)OC
InChIInChI=1S/C12H24O3Si/c1-13-12(14-2)8-16-6-5-9-3-4-10-11(7-9)15-10/h9-12H,3-8,16H2,1-2H3
InChIKeyZDYGDQRUJGWFLP-UHFFFAOYSA-N
XLogP1.57
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-Epoxycyclohexyl)Ethylmethyldiethoxysilane
CID 21922138
2-(3,4-Epoxycyclohexyl)ethyl(methyl)dimethoxysilane
CID 14767824
[Dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-methoxy-dimethylsilane
CID 20764361
Dimethylsilyloxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 60105972
[2-(3,4-Epoxy-cyclohexyl)ethyl]dimethylt-butylsilane
CID 176456573
Trimethyl[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 14598094
Diethoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 17992940
CID 20089669
CID 20089669
Tris(1-methoxyethoxy)-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 20226019
CID 20640903
CID 20640903
CID 21035628
CID 21035628
Hydroxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 21299314

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxyethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The IUPAC name of 2,2-dimethoxyethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane (CID 123346653) is 2,2-dimethoxyethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane.
What is the SMILES notation for 2,2-dimethoxyethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The canonical SMILES for 2,2-dimethoxyethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane is COC(C[SiH2]CCC1CCC2OC2C1)OC.
What is the InChIKey of 2,2-dimethoxyethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The InChIKey is ZDYGDQRUJGWFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-13-12(14-2)8-16-6-5-9-3-4-10-11(7-9)15-10/h9-12H,3-8,16H2,1-2H3.
What are the key properties of 2,2-dimethoxyethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
2,2-dimethoxyethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane has a molecular weight of 244.41 g/mol, XLogP of 1.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxyethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane is sourced from PubChem (CID 123346653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).