2,2-diethyl-6,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)oxasilinane

C20H34O3Si — CID 87523075

IUPAC2,2-diethyl-6,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)oxasilinane
SMILESCC[Si]1(CC)CCCC(C2CCC3OC3C2)(C2CCC3OC3C2)O1
InChIInChI=1S/C20H34O3Si/c1-3-24(4-2)11-5-10-20(23-24,14-6-8-16-18(12-14)21-16)15-7-9-17-19(13-15)22-17/h14-19H,3-13H2,1-2H3
InChIKeyCJGPKHGYJXNJJM-UHFFFAOYSA-N
MW350.58 g/mol
LogP4.66
Rot. Bonds4

About 2,2-diethyl-6,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)oxasilinane

2,2-diethyl-6,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)oxasilinane (PubChem CID 87523075) has the molecular formula C20H34O3Si and a molecular weight of 350.58 g/mol. Its IUPAC name is 2,2-diethyl-6,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)oxasilinane.

Molecular Properties

Compound Name2,2-diethyl-6,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)oxasilinane
PubChem CID87523075
Molecular FormulaC20H34O3Si
Molecular Weight350.58 g/mol
Exact Mass350.23
IUPAC Name2,2-diethyl-6,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)oxasilinane
SMILESCC[Si]1(CC)CCCC(C2CCC3OC3C2)(C2CCC3OC3C2)O1
InChIInChI=1S/C20H34O3Si/c1-3-24(4-2)11-5-10-20(23-24,14-6-8-16-18(12-14)21-16)15-7-9-17-19(13-15)22-17/h14-19H,3-13H2,1-2H3
InChIKeyCJGPKHGYJXNJJM-UHFFFAOYSA-N
XLogP4.66
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.58
LogP ≤ 54.66
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 2,2-diethyl-6,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)oxasilinane?
The IUPAC name of 2,2-diethyl-6,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)oxasilinane (CID 87523075) is 2,2-diethyl-6,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)oxasilinane.
What is the SMILES notation for 2,2-diethyl-6,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)oxasilinane?
The canonical SMILES for 2,2-diethyl-6,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)oxasilinane is CC[Si]1(CC)CCCC(C2CCC3OC3C2)(C2CCC3OC3C2)O1.
What is the InChIKey of 2,2-diethyl-6,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)oxasilinane?
The InChIKey is CJGPKHGYJXNJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O3Si/c1-3-24(4-2)11-5-10-20(23-24,14-6-8-16-18(12-14)21-16)15-7-9-17-19(13-15)22-17/h14-19H,3-13H2,1-2H3.
What are the key properties of 2,2-diethyl-6,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)oxasilinane?
2,2-diethyl-6,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)oxasilinane has a molecular weight of 350.58 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-6,6-bis(7-oxabicyclo[4.1.0]heptan-3-yl)oxasilinane is sourced from PubChem (CID 87523075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).