methyl-bis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane

C23H34O2Si — CID 23496350

IUPACmethyl-bis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane
SMILESC[Si](CCC1CCC2OC2C1)(CCC1CCC2OC2C1)c1ccccc1
InChIInChI=1S/C23H34O2Si/c1-26(19-5-3-2-4-6-19,13-11-17-7-9-20-22(15-17)24-20)14-12-18-8-10-21-23(16-18)25-21/h2-6,17-18,20-23H,7-16H2,1H3
InChIKeyWJLXMNAAJLNWAB-UHFFFAOYSA-N
MW370.61 g/mol
LogP4.89
Rot. Bonds7

About methyl-bis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane

methyl-bis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane (PubChem CID 23496350) has the molecular formula C23H34O2Si and a molecular weight of 370.61 g/mol. Its IUPAC name is methyl-bis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane.

Molecular Properties

Compound Namemethyl-bis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane
PubChem CID23496350
Molecular FormulaC23H34O2Si
Molecular Weight370.61 g/mol
Exact Mass370.23
IUPAC Namemethyl-bis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane
SMILESC[Si](CCC1CCC2OC2C1)(CCC1CCC2OC2C1)c1ccccc1
InChIInChI=1S/C23H34O2Si/c1-26(19-5-3-2-4-6-19,13-11-17-7-9-20-22(15-17)24-20)14-12-18-8-10-21-23(16-18)25-21/h2-6,17-18,20-23H,7-16H2,1H3
InChIKeyWJLXMNAAJLNWAB-UHFFFAOYSA-N
XLogP4.89
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.61
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 methyl-bis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane?
The IUPAC name of methyl-bis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane (CID 23496350) is methyl-bis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane.
What is the SMILES notation for methyl-bis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane?
The canonical SMILES for methyl-bis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane is C[Si](CCC1CCC2OC2C1)(CCC1CCC2OC2C1)c1ccccc1.
What is the InChIKey of methyl-bis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane?
The InChIKey is WJLXMNAAJLNWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O2Si/c1-26(19-5-3-2-4-6-19,13-11-17-7-9-20-22(15-17)24-20)14-12-18-8-10-21-23(16-18)25-21/h2-6,17-18,20-23H,7-16H2,1H3.
What are the key properties of methyl-bis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane?
methyl-bis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane has a molecular weight of 370.61 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-bis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane is sourced from PubChem (CID 23496350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).