(1R,3R,4S)-1,7,7-trimethyl-3-triethylsilyloxybicyclo[2.2.1]heptan-2-one

C16H30O2Si — CID 11300554

IUPAC(1R,3R,4S)-1,7,7-trimethyl-3-triethylsilyloxybicyclo[2.2.1]heptan-2-one
SMILESCC[Si](CC)(CC)O[C@H]1C(=O)[C@]2(C)CC[C@H]1C2(C)C
InChIInChI=1S/C16H30O2Si/c1-7-19(8-2,9-3)18-13-12-10-11-16(6,14(13)17)15(12,4)5/h12-13H,7-11H2,1-6H3/t12-,13-,16+/m1/s1
InChIKeyVOPHOUZVNRPQLO-IOASZLSFSA-N
MW282.50 g/mol
LogP4.40
Rot. Bonds5

About (1R,3R,4S)-1,7,7-trimethyl-3-triethylsilyloxybicyclo[2.2.1]heptan-2-one

(1R,3R,4S)-1,7,7-trimethyl-3-triethylsilyloxybicyclo[2.2.1]heptan-2-one (PubChem CID 11300554) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (1R,3R,4S)-1,7,7-trimethyl-3-triethylsilyloxybicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name(1R,3R,4S)-1,7,7-trimethyl-3-triethylsilyloxybicyclo[2.2.1]heptan-2-one
PubChem CID11300554
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(1R,3R,4S)-1,7,7-trimethyl-3-triethylsilyloxybicyclo[2.2.1]heptan-2-one
SMILESCC[Si](CC)(CC)O[C@H]1C(=O)[C@]2(C)CC[C@H]1C2(C)C
InChIInChI=1S/C16H30O2Si/c1-7-19(8-2,9-3)18-13-12-10-11-16(6,14(13)17)15(12,4)5/h12-13H,7-11H2,1-6H3/t12-,13-,16+/m1/s1
InChIKeyVOPHOUZVNRPQLO-IOASZLSFSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,3R,4S)-1,7,7-trimethyl-3-triethylsilyloxybicyclo[2.2.1]heptan-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 (1R,3R,4S)-1,7,7-trimethyl-3-triethylsilyloxybicyclo[2.2.1]heptan-2-one?
The IUPAC name of (1R,3R,4S)-1,7,7-trimethyl-3-triethylsilyloxybicyclo[2.2.1]heptan-2-one (CID 11300554) is (1R,3R,4S)-1,7,7-trimethyl-3-triethylsilyloxybicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for (1R,3R,4S)-1,7,7-trimethyl-3-triethylsilyloxybicyclo[2.2.1]heptan-2-one?
The canonical SMILES for (1R,3R,4S)-1,7,7-trimethyl-3-triethylsilyloxybicyclo[2.2.1]heptan-2-one is CC[Si](CC)(CC)O[C@H]1C(=O)[C@]2(C)CC[C@H]1C2(C)C.
What is the InChIKey of (1R,3R,4S)-1,7,7-trimethyl-3-triethylsilyloxybicyclo[2.2.1]heptan-2-one?
The InChIKey is VOPHOUZVNRPQLO-IOASZLSFSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-7-19(8-2,9-3)18-13-12-10-11-16(6,14(13)17)15(12,4)5/h12-13H,7-11H2,1-6H3/t12-,13-,16+/m1/s1.
What are the key properties of (1R,3R,4S)-1,7,7-trimethyl-3-triethylsilyloxybicyclo[2.2.1]heptan-2-one?
(1R,3R,4S)-1,7,7-trimethyl-3-triethylsilyloxybicyclo[2.2.1]heptan-2-one has a molecular weight of 282.50 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4S)-1,7,7-trimethyl-3-triethylsilyloxybicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 11300554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).