5-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one

C16H30O2Si — CID 22164619

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one
SMILESCC(C)(C)[Si](C)(C)OC1CCCC2C(=O)CCCC12
InChIInChI=1S/C16H30O2Si/c1-16(2,3)19(4,5)18-15-11-7-8-12-13(15)9-6-10-14(12)17/h12-13,15H,6-11H2,1-5H3
InChIKeyZXGCGRJCOSWQMR-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.55
Rot. Bonds2

About 5-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one

5-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one (PubChem CID 22164619) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one
PubChem CID22164619
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one
SMILESCC(C)(C)[Si](C)(C)OC1CCCC2C(=O)CCCC12
InChIInChI=1S/C16H30O2Si/c1-16(2,3)19(4,5)18-15-11-7-8-12-13(15)9-6-10-14(12)17/h12-13,15H,6-11H2,1-5H3
InChIKeyZXGCGRJCOSWQMR-UHFFFAOYSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-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

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one (CID 22164619) is 5-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one is CC(C)(C)[Si](C)(C)OC1CCCC2C(=O)CCCC12.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one?
The InChIKey is ZXGCGRJCOSWQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-16(2,3)19(4,5)18-15-11-7-8-12-13(15)9-6-10-14(12)17/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one?
5-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one has a molecular weight of 282.50 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one is sourced from PubChem (CID 22164619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).