(7R,8S)-7,9-dimethyl-8-trimethylsilyloxydecane-2,4-dione

C15H30O3Si — CID 57223439

IUPAC(7R,8S)-7,9-dimethyl-8-trimethylsilyloxydecane-2,4-dione
SMILESCC(=O)CC(=O)CC[C@@H](C)[C@@H](O[Si](C)(C)C)C(C)C
InChIInChI=1S/C15H30O3Si/c1-11(2)15(18-19(5,6)7)12(3)8-9-14(17)10-13(4)16/h11-12,15H,8-10H2,1-7H3/t12-,15+/m1/s1
InChIKeyLXGHPYFQLBJLQC-DOMZBBRYSA-N
MW286.49 g/mol
LogP3.83
Rot. Bonds9

About (7R,8S)-7,9-dimethyl-8-trimethylsilyloxydecane-2,4-dione

(7R,8S)-7,9-dimethyl-8-trimethylsilyloxydecane-2,4-dione (PubChem CID 57223439) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is (7R,8S)-7,9-dimethyl-8-trimethylsilyloxydecane-2,4-dione.

Molecular Properties

Compound Name(7R,8S)-7,9-dimethyl-8-trimethylsilyloxydecane-2,4-dione
PubChem CID57223439
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name(7R,8S)-7,9-dimethyl-8-trimethylsilyloxydecane-2,4-dione
SMILESCC(=O)CC(=O)CC[C@@H](C)[C@@H](O[Si](C)(C)C)C(C)C
InChIInChI=1S/C15H30O3Si/c1-11(2)15(18-19(5,6)7)12(3)8-9-14(17)10-13(4)16/h11-12,15H,8-10H2,1-7H3/t12-,15+/m1/s1
InChIKeyLXGHPYFQLBJLQC-DOMZBBRYSA-N
XLogP3.83
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (7R,8S)-7,9-dimethyl-8-trimethylsilyloxydecane-2,4-dione 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 (7R,8S)-7,9-dimethyl-8-trimethylsilyloxydecane-2,4-dione?
The IUPAC name of (7R,8S)-7,9-dimethyl-8-trimethylsilyloxydecane-2,4-dione (CID 57223439) is (7R,8S)-7,9-dimethyl-8-trimethylsilyloxydecane-2,4-dione.
What is the SMILES notation for (7R,8S)-7,9-dimethyl-8-trimethylsilyloxydecane-2,4-dione?
The canonical SMILES for (7R,8S)-7,9-dimethyl-8-trimethylsilyloxydecane-2,4-dione is CC(=O)CC(=O)CC[C@@H](C)[C@@H](O[Si](C)(C)C)C(C)C.
What is the InChIKey of (7R,8S)-7,9-dimethyl-8-trimethylsilyloxydecane-2,4-dione?
The InChIKey is LXGHPYFQLBJLQC-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-11(2)15(18-19(5,6)7)12(3)8-9-14(17)10-13(4)16/h11-12,15H,8-10H2,1-7H3/t12-,15+/m1/s1.
What are the key properties of (7R,8S)-7,9-dimethyl-8-trimethylsilyloxydecane-2,4-dione?
(7R,8S)-7,9-dimethyl-8-trimethylsilyloxydecane-2,4-dione has a molecular weight of 286.49 g/mol, XLogP of 3.83, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8S)-7,9-dimethyl-8-trimethylsilyloxydecane-2,4-dione is sourced from PubChem (CID 57223439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).