6-methyl-6-trimethylsilyloxy-1,3,3a,4,5,6a-hexahydropentalen-2-one

C12H22O2Si — CID 588567

IUPAC6-methyl-6-trimethylsilyloxy-1,3,3a,4,5,6a-hexahydropentalen-2-one
SMILESCC1(O[Si](C)(C)C)CCC2CC(=O)CC21
InChIInChI=1S/C12H22O2Si/c1-12(14-15(2,3)4)6-5-9-7-10(13)8-11(9)12/h9,11H,5-8H2,1-4H3
InChIKeyLTVUABDWCBOKFI-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.99
Rot. Bonds2

About 6-methyl-6-trimethylsilyloxy-1,3,3a,4,5,6a-hexahydropentalen-2-one

6-methyl-6-trimethylsilyloxy-1,3,3a,4,5,6a-hexahydropentalen-2-one (PubChem CID 588567) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is 6-methyl-6-trimethylsilyloxy-1,3,3a,4,5,6a-hexahydropentalen-2-one.

Molecular Properties

Compound Name6-methyl-6-trimethylsilyloxy-1,3,3a,4,5,6a-hexahydropentalen-2-one
PubChem CID588567
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name6-methyl-6-trimethylsilyloxy-1,3,3a,4,5,6a-hexahydropentalen-2-one
SMILESCC1(O[Si](C)(C)C)CCC2CC(=O)CC21
InChIInChI=1S/C12H22O2Si/c1-12(14-15(2,3)4)6-5-9-7-10(13)8-11(9)12/h9,11H,5-8H2,1-4H3
InChIKeyLTVUABDWCBOKFI-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-methyl-6-trimethylsilyloxy-1,3,3a,4,5,6a-hexahydropentalen-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-trimethylsilyloxy-1,3,3a,4,5,6a-hexahydropentalen-2-one?
The IUPAC name of 6-methyl-6-trimethylsilyloxy-1,3,3a,4,5,6a-hexahydropentalen-2-one (CID 588567) is 6-methyl-6-trimethylsilyloxy-1,3,3a,4,5,6a-hexahydropentalen-2-one.
What is the SMILES notation for 6-methyl-6-trimethylsilyloxy-1,3,3a,4,5,6a-hexahydropentalen-2-one?
The canonical SMILES for 6-methyl-6-trimethylsilyloxy-1,3,3a,4,5,6a-hexahydropentalen-2-one is CC1(O[Si](C)(C)C)CCC2CC(=O)CC21.
What is the InChIKey of 6-methyl-6-trimethylsilyloxy-1,3,3a,4,5,6a-hexahydropentalen-2-one?
The InChIKey is LTVUABDWCBOKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-12(14-15(2,3)4)6-5-9-7-10(13)8-11(9)12/h9,11H,5-8H2,1-4H3.
What are the key properties of 6-methyl-6-trimethylsilyloxy-1,3,3a,4,5,6a-hexahydropentalen-2-one?
6-methyl-6-trimethylsilyloxy-1,3,3a,4,5,6a-hexahydropentalen-2-one has a molecular weight of 226.39 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-trimethylsilyloxy-1,3,3a,4,5,6a-hexahydropentalen-2-one is sourced from PubChem (CID 588567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).