3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tri(propan-2-yloxy)silane

C18H36O4Si — CID 89156746

IUPAC3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tri(propan-2-yloxy)silane
SMILESCC(C)O[Si](CCCC1CCC2OC2C1)(OC(C)C)OC(C)C
InChIInChI=1S/C18H36O4Si/c1-13(2)20-23(21-14(3)4,22-15(5)6)11-7-8-16-9-10-17-18(12-16)19-17/h13-18H,7-12H2,1-6H3
InChIKeyUZWKIWKKSNPAGY-UHFFFAOYSA-N
MW344.57 g/mol
LogP4.55
Rot. Bonds10

About 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tri(propan-2-yloxy)silane

3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tri(propan-2-yloxy)silane (PubChem CID 89156746) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tri(propan-2-yloxy)silane.

Molecular Properties

Compound Name3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tri(propan-2-yloxy)silane
PubChem CID89156746
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tri(propan-2-yloxy)silane
SMILESCC(C)O[Si](CCCC1CCC2OC2C1)(OC(C)C)OC(C)C
InChIInChI=1S/C18H36O4Si/c1-13(2)20-23(21-14(3)4,22-15(5)6)11-7-8-16-9-10-17-18(12-16)19-17/h13-18H,7-12H2,1-6H3
InChIKeyUZWKIWKKSNPAGY-UHFFFAOYSA-N
XLogP4.55
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.55
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 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tri(propan-2-yloxy)silane?
The IUPAC name of 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tri(propan-2-yloxy)silane (CID 89156746) is 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tri(propan-2-yloxy)silane.
What is the SMILES notation for 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tri(propan-2-yloxy)silane?
The canonical SMILES for 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tri(propan-2-yloxy)silane is CC(C)O[Si](CCCC1CCC2OC2C1)(OC(C)C)OC(C)C.
What is the InChIKey of 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tri(propan-2-yloxy)silane?
The InChIKey is UZWKIWKKSNPAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-13(2)20-23(21-14(3)4,22-15(5)6)11-7-8-16-9-10-17-18(12-16)19-17/h13-18H,7-12H2,1-6H3.
What are the key properties of 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tri(propan-2-yloxy)silane?
3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tri(propan-2-yloxy)silane has a molecular weight of 344.57 g/mol, XLogP of 4.55, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tri(propan-2-yloxy)silane is sourced from PubChem (CID 89156746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).