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

C19H34O4SSi — CID 174093101

IUPAChydroxy-methyl-[2-(6-oxabicyclo[3.1.1]heptan-3-yl)ethyl]-[1-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethylsulfinyl]ethyl]silane
SMILESCC(S(=O)CCC1CCC2OC2C1)[Si](C)(O)CCC1CC2CC(C1)O2
InChIInChI=1S/C19H34O4SSi/c1-13(24(20)7-5-14-3-4-18-19(11-14)23-18)25(2,21)8-6-15-9-16-12-17(10-15)22-16/h13-19,21H,3-12H2,1-2H3
InChIKeyBYIAOUNGGVIHKL-UHFFFAOYSA-N
MW386.63 g/mol
LogP3.15
Rot. Bonds8

About 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

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 (PubChem CID 174093101) has the molecular formula C19H34O4SSi and a molecular weight of 386.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namehydroxy-methyl-[2-(6-oxabicyclo[3.1.1]heptan-3-yl)ethyl]-[1-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethylsulfinyl]ethyl]silane
PubChem CID174093101
Molecular FormulaC19H34O4SSi
Molecular Weight386.63 g/mol
Exact Mass386.19
IUPAC Namehydroxy-methyl-[2-(6-oxabicyclo[3.1.1]heptan-3-yl)ethyl]-[1-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethylsulfinyl]ethyl]silane
SMILESCC(S(=O)CCC1CCC2OC2C1)[Si](C)(O)CCC1CC2CC(C1)O2
InChIInChI=1S/C19H34O4SSi/c1-13(24(20)7-5-14-3-4-18-19(11-14)23-18)25(2,21)8-6-15-9-16-12-17(10-15)22-16/h13-19,21H,3-12H2,1-2H3
InChIKeyBYIAOUNGGVIHKL-UHFFFAOYSA-N
XLogP3.15
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.63
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(S(=O)CCC1CCC2OC2C1)[Si](C)(O)CCC1CC2CC(C1)O2.
What is the InChIKey of 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?
The InChIKey is BYIAOUNGGVIHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O4SSi/c1-13(24(20)7-5-14-3-4-18-19(11-14)23-18)25(2,21)8-6-15-9-16-12-17(10-15)22-16/h13-19,21H,3-12H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 386.63 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 174093101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).