[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

C19H35O3SSi+ — CID 142150151

IUPAC[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
SMILESC[S+](CCC1CCC2OC2C1)O[Si](C)(C)CCC1CCC2OC2C1
InChIInChI=1S/C19H35O3SSi/c1-23(10-8-14-4-6-16-18(12-14)20-16)22-24(2,3)11-9-15-5-7-17-19(13-15)21-17/h14-19H,4-13H2,1-3H3/q+1
InChIKeyKAICWMPVGPZDMQ-UHFFFAOYSA-N
MW371.64 g/mol
LogP4.29
Rot. Bonds8

About [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

[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 (PubChem CID 142150151) has the molecular formula C19H35O3SSi+ and a molecular weight of 371.64 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID142150151
Molecular FormulaC19H35O3SSi+
Molecular Weight371.64 g/mol
Exact Mass371.21
IUPAC Name[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
SMILESC[S+](CCC1CCC2OC2C1)O[Si](C)(C)CCC1CCC2OC2C1
InChIInChI=1S/C19H35O3SSi/c1-23(10-8-14-4-6-16-18(12-14)20-16)22-24(2,3)11-9-15-5-7-17-19(13-15)21-17/h14-19H,4-13H2,1-3H3/q+1
InChIKeyKAICWMPVGPZDMQ-UHFFFAOYSA-N
XLogP4.29
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.64
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is C[S+](CCC1CCC2OC2C1)O[Si](C)(C)CCC1CCC2OC2C1.
What is the InChIKey of [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?
The InChIKey is KAICWMPVGPZDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35O3SSi/c1-23(10-8-14-4-6-16-18(12-14)20-16)22-24(2,3)11-9-15-5-7-17-19(13-15)21-17/h14-19H,4-13H2,1-3H3/q+1.
What are the key properties of [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?
[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 has a molecular weight of 371.64 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 142150151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).