8-(3-silylpropoxy)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one

C11H18O4Si — CID 123568122

IUPAC8-(3-silylpropoxy)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
SMILESO=C1OCC2C3OC(CC3OCCC[SiH3])C12
InChIInChI=1S/C11H18O4Si/c12-11-9-6(5-14-11)10-8(4-7(9)15-10)13-2-1-3-16/h6-10H,1-5H2,16H3
InChIKeyDGUVLLMTSHTTFO-UHFFFAOYSA-N
MW242.35 g/mol
LogP-0.49
Rot. Bonds4

About 8-(3-silylpropoxy)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one

8-(3-silylpropoxy)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one (PubChem CID 123568122) has the molecular formula C11H18O4Si and a molecular weight of 242.35 g/mol. Its IUPAC name is 8-(3-silylpropoxy)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one.

Molecular Properties

Compound Name8-(3-silylpropoxy)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
PubChem CID123568122
Molecular FormulaC11H18O4Si
Molecular Weight242.35 g/mol
Exact Mass242.10
IUPAC Name8-(3-silylpropoxy)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
SMILESO=C1OCC2C3OC(CC3OCCC[SiH3])C12
InChIInChI=1S/C11H18O4Si/c12-11-9-6(5-14-11)10-8(4-7(9)15-10)13-2-1-3-16/h6-10H,1-5H2,16H3
InChIKeyDGUVLLMTSHTTFO-UHFFFAOYSA-N
XLogP-0.49
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 5-0.49
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 8-(3-silylpropoxy)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one?
The IUPAC name of 8-(3-silylpropoxy)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one (CID 123568122) is 8-(3-silylpropoxy)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one.
What is the SMILES notation for 8-(3-silylpropoxy)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one?
The canonical SMILES for 8-(3-silylpropoxy)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one is O=C1OCC2C3OC(CC3OCCC[SiH3])C12.
What is the InChIKey of 8-(3-silylpropoxy)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one?
The InChIKey is DGUVLLMTSHTTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4Si/c12-11-9-6(5-14-11)10-8(4-7(9)15-10)13-2-1-3-16/h6-10H,1-5H2,16H3.
What are the key properties of 8-(3-silylpropoxy)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one?
8-(3-silylpropoxy)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one has a molecular weight of 242.35 g/mol, XLogP of -0.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-silylpropoxy)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one is sourced from PubChem (CID 123568122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).