bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy-ethyl-methoxy-methylsilane

C17H30O4Si — CID 151154534

IUPACbis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy-ethyl-methoxy-methylsilane
SMILESCC[Si](C)(OC)OC(C1CCC2OC2C1)C1CCC2OC2C1
InChIInChI=1S/C17H30O4Si/c1-4-22(3,18-2)21-17(11-5-7-13-15(9-11)19-13)12-6-8-14-16(10-12)20-14/h11-17H,4-10H2,1-3H3
InChIKeyMYYCCZHFUHXBAJ-UHFFFAOYSA-N
MW326.51 g/mol
LogP3.24
Rot. Bonds6

About bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy-ethyl-methoxy-methylsilane

bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy-ethyl-methoxy-methylsilane (PubChem CID 151154534) has the molecular formula C17H30O4Si and a molecular weight of 326.51 g/mol. Its IUPAC name is bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy-ethyl-methoxy-methylsilane.

Molecular Properties

Compound Namebis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy-ethyl-methoxy-methylsilane
PubChem CID151154534
Molecular FormulaC17H30O4Si
Molecular Weight326.51 g/mol
Exact Mass326.19
IUPAC Namebis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy-ethyl-methoxy-methylsilane
SMILESCC[Si](C)(OC)OC(C1CCC2OC2C1)C1CCC2OC2C1
InChIInChI=1S/C17H30O4Si/c1-4-22(3,18-2)21-17(11-5-7-13-15(9-11)19-13)12-6-8-14-16(10-12)20-14/h11-17H,4-10H2,1-3H3
InChIKeyMYYCCZHFUHXBAJ-UHFFFAOYSA-N
XLogP3.24
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy-ethyl-methoxy-methylsilane?
The IUPAC name of bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy-ethyl-methoxy-methylsilane (CID 151154534) is bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy-ethyl-methoxy-methylsilane.
What is the SMILES notation for bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy-ethyl-methoxy-methylsilane?
The canonical SMILES for bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy-ethyl-methoxy-methylsilane is CC[Si](C)(OC)OC(C1CCC2OC2C1)C1CCC2OC2C1.
What is the InChIKey of bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy-ethyl-methoxy-methylsilane?
The InChIKey is MYYCCZHFUHXBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O4Si/c1-4-22(3,18-2)21-17(11-5-7-13-15(9-11)19-13)12-6-8-14-16(10-12)20-14/h11-17H,4-10H2,1-3H3.
What are the key properties of bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy-ethyl-methoxy-methylsilane?
bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy-ethyl-methoxy-methylsilane has a molecular weight of 326.51 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy-ethyl-methoxy-methylsilane is sourced from PubChem (CID 151154534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).