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

C16H24O3Si — CID 19907508

IUPACdimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane
SMILESCO[Si](CCC1CCC2OC2C1)(OC)c1ccccc1
InChIInChI=1S/C16H24O3Si/c1-17-20(18-2,14-6-4-3-5-7-14)11-10-13-8-9-15-16(12-13)19-15/h3-7,13,15-16H,8-12H2,1-2H3
InChIKeyHTCDNSBJVMJHJW-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.59
Rot. Bonds6

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

dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane (PubChem CID 19907508) has the molecular formula C16H24O3Si and a molecular weight of 292.45 g/mol. Its IUPAC name is dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane.

Molecular Properties

Compound Namedimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane
PubChem CID19907508
Molecular FormulaC16H24O3Si
Molecular Weight292.45 g/mol
Exact Mass292.15
IUPAC Namedimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane
SMILESCO[Si](CCC1CCC2OC2C1)(OC)c1ccccc1
InChIInChI=1S/C16H24O3Si/c1-17-20(18-2,14-6-4-3-5-7-14)11-10-13-8-9-15-16(12-13)19-15/h3-7,13,15-16H,8-12H2,1-2H3
InChIKeyHTCDNSBJVMJHJW-UHFFFAOYSA-N
XLogP2.59
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.59
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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Frequently Asked Questions

What is the IUPAC name of dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane?
The IUPAC name of dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane (CID 19907508) is dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane.
What is the SMILES notation for dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane?
The canonical SMILES for dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane is CO[Si](CCC1CCC2OC2C1)(OC)c1ccccc1.
What is the InChIKey of dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane?
The InChIKey is HTCDNSBJVMJHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3Si/c1-17-20(18-2,14-6-4-3-5-7-14)11-10-13-8-9-15-16(12-13)19-15/h3-7,13,15-16H,8-12H2,1-2H3.
What are the key properties of dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane?
dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane has a molecular weight of 292.45 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane is sourced from PubChem (CID 19907508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).