5-(3-silylpropoxy)spiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one

C12H20O4Si — CID 123543553

IUPAC5-(3-silylpropoxy)spiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one
SMILESO=C1OCCC12CC1OC2CC1OCCC[SiH3]
InChIInChI=1S/C12H20O4Si/c13-11-12(2-4-15-11)7-9-8(6-10(12)16-9)14-3-1-5-17/h8-10H,1-7H2,17H3
InChIKeyHCKGYOSOIRANHX-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.04
Rot. Bonds4

About 5-(3-silylpropoxy)spiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one

5-(3-silylpropoxy)spiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one (PubChem CID 123543553) has the molecular formula C12H20O4Si and a molecular weight of 256.37 g/mol. Its IUPAC name is 5-(3-silylpropoxy)spiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one.

Molecular Properties

Compound Name5-(3-silylpropoxy)spiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one
PubChem CID123543553
Molecular FormulaC12H20O4Si
Molecular Weight256.37 g/mol
Exact Mass256.11
IUPAC Name5-(3-silylpropoxy)spiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one
SMILESO=C1OCCC12CC1OC2CC1OCCC[SiH3]
InChIInChI=1S/C12H20O4Si/c13-11-12(2-4-15-11)7-9-8(6-10(12)16-9)14-3-1-5-17/h8-10H,1-7H2,17H3
InChIKeyHCKGYOSOIRANHX-UHFFFAOYSA-N
XLogP0.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-silylpropoxy)spiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one?
The IUPAC name of 5-(3-silylpropoxy)spiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one (CID 123543553) is 5-(3-silylpropoxy)spiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one.
What is the SMILES notation for 5-(3-silylpropoxy)spiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one?
The canonical SMILES for 5-(3-silylpropoxy)spiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one is O=C1OCCC12CC1OC2CC1OCCC[SiH3].
What is the InChIKey of 5-(3-silylpropoxy)spiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one?
The InChIKey is HCKGYOSOIRANHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4Si/c13-11-12(2-4-15-11)7-9-8(6-10(12)16-9)14-3-1-5-17/h8-10H,1-7H2,17H3.
What are the key properties of 5-(3-silylpropoxy)spiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one?
5-(3-silylpropoxy)spiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one has a molecular weight of 256.37 g/mol, XLogP of 0.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-silylpropoxy)spiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one is sourced from PubChem (CID 123543553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).