[dimethyl-[2-(2-methyloxan-4-yl)ethyl]-λ4-sulfanyl]oxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane

C20H40O3SSi — CID 163544853

IUPAC[dimethyl-[2-(2-methyloxan-4-yl)ethyl]-λ4-sulfanyl]oxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
SMILESCC1CC(CCS(C)(C)O[Si](C)(C)CCC2CCC3OC3C2)CCO1
InChIInChI=1S/C20H40O3SSi/c1-16-14-18(8-11-21-16)9-12-24(2,3)23-25(4,5)13-10-17-6-7-19-20(15-17)22-19/h16-20H,6-15H2,1-5H3
InChIKeyFEEAKBKYWJLHRI-UHFFFAOYSA-N
MW388.69 g/mol
LogP5.35
Rot. Bonds8

About [dimethyl-[2-(2-methyloxan-4-yl)ethyl]-λ4-sulfanyl]oxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane

[dimethyl-[2-(2-methyloxan-4-yl)ethyl]-λ4-sulfanyl]oxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane (PubChem CID 163544853) has the molecular formula C20H40O3SSi and a molecular weight of 388.69 g/mol. Its IUPAC name is [dimethyl-[2-(2-methyloxan-4-yl)ethyl]-λ4-sulfanyl]oxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane.

Molecular Properties

Compound Name[dimethyl-[2-(2-methyloxan-4-yl)ethyl]-λ4-sulfanyl]oxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
PubChem CID163544853
Molecular FormulaC20H40O3SSi
Molecular Weight388.69 g/mol
Exact Mass388.25
IUPAC Name[dimethyl-[2-(2-methyloxan-4-yl)ethyl]-λ4-sulfanyl]oxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
SMILESCC1CC(CCS(C)(C)O[Si](C)(C)CCC2CCC3OC3C2)CCO1
InChIInChI=1S/C20H40O3SSi/c1-16-14-18(8-11-21-16)9-12-24(2,3)23-25(4,5)13-10-17-6-7-19-20(15-17)22-19/h16-20H,6-15H2,1-5H3
InChIKeyFEEAKBKYWJLHRI-UHFFFAOYSA-N
XLogP5.35
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.69
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Butyl-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-lambda4-sulfanyl]oxy-dimethyl-lambda4-sulfane;propane
CID 141905801
[Dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]sulfanium
CID 142150151
[3,3-Dimethylbutyl(dimethyl)-lambda4-sulfanyl]oxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 163642875
Hydroxy-methyl-[2-(6-oxabicyclo[3.1.1]heptan-3-yl)ethyl]-[1-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethylsulfinyl]ethyl]silane
CID 174093101
Butyl-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-lambda4-sulfanyl]oxy-dimethyl-lambda4-sulfane
CID 141905802

Frequently Asked Questions

What is the IUPAC name of [dimethyl-[2-(2-methyloxan-4-yl)ethyl]-λ4-sulfanyl]oxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The IUPAC name of [dimethyl-[2-(2-methyloxan-4-yl)ethyl]-λ4-sulfanyl]oxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane (CID 163544853) is [dimethyl-[2-(2-methyloxan-4-yl)ethyl]-λ4-sulfanyl]oxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane.
What is the SMILES notation for [dimethyl-[2-(2-methyloxan-4-yl)ethyl]-λ4-sulfanyl]oxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The canonical SMILES for [dimethyl-[2-(2-methyloxan-4-yl)ethyl]-λ4-sulfanyl]oxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane is CC1CC(CCS(C)(C)O[Si](C)(C)CCC2CCC3OC3C2)CCO1.
What is the InChIKey of [dimethyl-[2-(2-methyloxan-4-yl)ethyl]-λ4-sulfanyl]oxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The InChIKey is FEEAKBKYWJLHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O3SSi/c1-16-14-18(8-11-21-16)9-12-24(2,3)23-25(4,5)13-10-17-6-7-19-20(15-17)22-19/h16-20H,6-15H2,1-5H3.
What are the key properties of [dimethyl-[2-(2-methyloxan-4-yl)ethyl]-λ4-sulfanyl]oxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
[dimethyl-[2-(2-methyloxan-4-yl)ethyl]-λ4-sulfanyl]oxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane has a molecular weight of 388.69 g/mol, XLogP of 5.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl-[2-(2-methyloxan-4-yl)ethyl]-λ4-sulfanyl]oxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane is sourced from PubChem (CID 163544853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).