(1R,3R,4R)-1-ethenyl-7,7-dimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one

C14H24O2Si — CID 99772779

IUPAC(1R,3R,4R)-1-ethenyl-7,7-dimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one
SMILESC=C[C@@]12CC[C@@H]([C@@H](O[Si](C)(C)C)C1=O)C2(C)C
InChIInChI=1S/C14H24O2Si/c1-7-14-9-8-10(13(14,2)3)11(12(14)15)16-17(4,5)6/h7,10-11H,1,8-9H2,2-6H3/t10-,11+,14+/m0/s1
InChIKeyWTWIXWBEIDDRPR-MISXGVKJSA-N
MW252.43 g/mol
LogP3.40
Rot. Bonds3

About (1R,3R,4R)-1-ethenyl-7,7-dimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one

(1R,3R,4R)-1-ethenyl-7,7-dimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one (PubChem CID 99772779) has the molecular formula C14H24O2Si and a molecular weight of 252.43 g/mol. Its IUPAC name is (1R,3R,4R)-1-ethenyl-7,7-dimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name(1R,3R,4R)-1-ethenyl-7,7-dimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one
PubChem CID99772779
Molecular FormulaC14H24O2Si
Molecular Weight252.43 g/mol
Exact Mass252.15
IUPAC Name(1R,3R,4R)-1-ethenyl-7,7-dimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one
SMILESC=C[C@@]12CC[C@@H]([C@@H](O[Si](C)(C)C)C1=O)C2(C)C
InChIInChI=1S/C14H24O2Si/c1-7-14-9-8-10(13(14,2)3)11(12(14)15)16-17(4,5)6/h7,10-11H,1,8-9H2,2-6H3/t10-,11+,14+/m0/s1
InChIKeyWTWIXWBEIDDRPR-MISXGVKJSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,3R,4R)-1-ethenyl-7,7-dimethyl-3-trimethylsilyloxybicyclo[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,4R)-1-ethenyl-7,7-dimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one?
The IUPAC name of (1R,3R,4R)-1-ethenyl-7,7-dimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one (CID 99772779) is (1R,3R,4R)-1-ethenyl-7,7-dimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for (1R,3R,4R)-1-ethenyl-7,7-dimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one?
The canonical SMILES for (1R,3R,4R)-1-ethenyl-7,7-dimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one is C=C[C@@]12CC[C@@H]([C@@H](O[Si](C)(C)C)C1=O)C2(C)C.
What is the InChIKey of (1R,3R,4R)-1-ethenyl-7,7-dimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one?
The InChIKey is WTWIXWBEIDDRPR-MISXGVKJSA-N. The full InChI is InChI=1S/C14H24O2Si/c1-7-14-9-8-10(13(14,2)3)11(12(14)15)16-17(4,5)6/h7,10-11H,1,8-9H2,2-6H3/t10-,11+,14+/m0/s1.
What are the key properties of (1R,3R,4R)-1-ethenyl-7,7-dimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one?
(1R,3R,4R)-1-ethenyl-7,7-dimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one has a molecular weight of 252.43 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4R)-1-ethenyl-7,7-dimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 99772779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).