4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dimethylcyclohept-4-en-1-one

C16H30O2Si — CID 10924035

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dimethylcyclohept-4-en-1-one
SMILESCC1=C(CO[Si](C)(C)C(C)(C)C)CC(C)C(=O)CC1
InChIInChI=1S/C16H30O2Si/c1-12-8-9-15(17)13(2)10-14(12)11-18-19(6,7)16(3,4)5/h13H,8-11H2,1-7H3
InChIKeyCRPLMYCPRRRGSZ-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.71
Rot. Bonds3

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dimethylcyclohept-4-en-1-one

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dimethylcyclohept-4-en-1-one (PubChem CID 10924035) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dimethylcyclohept-4-en-1-one.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dimethylcyclohept-4-en-1-one
PubChem CID10924035
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dimethylcyclohept-4-en-1-one
SMILESCC1=C(CO[Si](C)(C)C(C)(C)C)CC(C)C(=O)CC1
InChIInChI=1S/C16H30O2Si/c1-12-8-9-15(17)13(2)10-14(12)11-18-19(6,7)16(3,4)5/h13H,8-11H2,1-7H3
InChIKeyCRPLMYCPRRRGSZ-UHFFFAOYSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.71
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 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dimethylcyclohept-4-en-1-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

3,3,7-Tri(propan-2-yl)-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one
CID 156625572
3-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2,4-trimethylcyclohex-3-en-1-one
CID 11076918
1-[Tert-butyl(dimethyl)silyl]oxy-9-methyl-1,2,3,4,4a,6,7,8-octahydrobenzo[7]annulen-5-one
CID 11758655
1-[4-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2-methylcyclopenten-1-yl]butan-1-one
CID 101992056
7-Ethyl-3,3-di(propan-2-yl)-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one
CID 157493283

Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dimethylcyclohept-4-en-1-one?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dimethylcyclohept-4-en-1-one (CID 10924035) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dimethylcyclohept-4-en-1-one.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dimethylcyclohept-4-en-1-one?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dimethylcyclohept-4-en-1-one is CC1=C(CO[Si](C)(C)C(C)(C)C)CC(C)C(=O)CC1.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dimethylcyclohept-4-en-1-one?
The InChIKey is CRPLMYCPRRRGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-12-8-9-15(17)13(2)10-14(12)11-18-19(6,7)16(3,4)5/h13H,8-11H2,1-7H3.
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dimethylcyclohept-4-en-1-one?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dimethylcyclohept-4-en-1-one has a molecular weight of 282.50 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dimethylcyclohept-4-en-1-one is sourced from PubChem (CID 10924035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).