2-(silylmethoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one

C9H14O3Si — CID 123804126

IUPAC2-(silylmethoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one
SMILESO=C1OC2C3CC(CC13)C2OC[SiH3]
InChIInChI=1S/C9H14O3Si/c10-9-6-2-4-1-5(6)8(12-9)7(4)11-3-13/h4-8H,1-3H2,13H3
InChIKeyHKCFZFBXCGHSOR-UHFFFAOYSA-N
MW198.29 g/mol
LogP-0.72
Rot. Bonds2

About 2-(silylmethoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one

2-(silylmethoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one (PubChem CID 123804126) has the molecular formula C9H14O3Si and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-(silylmethoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one.

Molecular Properties

Compound Name2-(silylmethoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one
PubChem CID123804126
Molecular FormulaC9H14O3Si
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name2-(silylmethoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one
SMILESO=C1OC2C3CC(CC13)C2OC[SiH3]
InChIInChI=1S/C9H14O3Si/c10-9-6-2-4-1-5(6)8(12-9)7(4)11-3-13/h4-8H,1-3H2,13H3
InChIKeyHKCFZFBXCGHSOR-UHFFFAOYSA-N
XLogP-0.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 5-0.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(silylmethoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-oxopropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one
CID 167571291
2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2-chloroacetate
CID 58105943
N-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]methanamine oxide
CID 163430349
2,2-difluoro-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]acetate
CID 162450997
(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(aziridin-1-yl)acetate
CID 170264720
[(1S)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl] 2-methylidenebutanoate
CID 122605939
(1S,2S,3S,6R,7S)-2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one
CID 98093547
[(1S,6R)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl] 2-methylprop-2-enoate
CID 67990971
ethane;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-ethyl-2-methylbutanoate
CID 91015076
(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,3-dimethyl-1-(2-methylpropyl)cyclopropane-1-carboxylate
CID 163686793
[(3R)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl] 2,4-dimethyl-2-propan-2-ylpentanoate
CID 163442317
2-methoxy-4-oxatricyclo[4.3.0.03,8]nonan-5-one
CID 89483849

Frequently Asked Questions

What is the IUPAC name of 2-(silylmethoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
The IUPAC name of 2-(silylmethoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one (CID 123804126) is 2-(silylmethoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one.
What is the SMILES notation for 2-(silylmethoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
The canonical SMILES for 2-(silylmethoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one is O=C1OC2C3CC(CC13)C2OC[SiH3].
What is the InChIKey of 2-(silylmethoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
The InChIKey is HKCFZFBXCGHSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3Si/c10-9-6-2-4-1-5(6)8(12-9)7(4)11-3-13/h4-8H,1-3H2,13H3.
What are the key properties of 2-(silylmethoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
2-(silylmethoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one has a molecular weight of 198.29 g/mol, XLogP of -0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(silylmethoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one is sourced from PubChem (CID 123804126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).