3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one

C16H32O2Si — CID 10085307

IUPAC3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)OCCCCC1CCCC(=O)C1
InChIInChI=1S/C16H32O2Si/c1-16(2,3)19(4,5)18-12-7-6-9-14-10-8-11-15(17)13-14/h14H,6-13H2,1-5H3
InChIKeyBCDSZFONZNKGNL-UHFFFAOYSA-N
MW284.52 g/mol
LogP4.94
Rot. Bonds6

About 3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one

3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one (PubChem CID 10085307) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is 3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one.

Molecular Properties

Compound Name3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
PubChem CID10085307
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)OCCCCC1CCCC(=O)C1
InChIInChI=1S/C16H32O2Si/c1-16(2,3)19(4,5)18-12-7-6-9-14-10-8-11-15(17)13-14/h14H,6-13H2,1-5H3
InChIKeyBCDSZFONZNKGNL-UHFFFAOYSA-N
XLogP4.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-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 3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one?
The IUPAC name of 3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one (CID 10085307) is 3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one.
What is the SMILES notation for 3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one?
The canonical SMILES for 3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one is CC(C)(C)[Si](C)(C)OCCCCC1CCCC(=O)C1.
What is the InChIKey of 3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one?
The InChIKey is BCDSZFONZNKGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-16(2,3)19(4,5)18-12-7-6-9-14-10-8-11-15(17)13-14/h14H,6-13H2,1-5H3.
What are the key properties of 3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one?
3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one has a molecular weight of 284.52 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one is sourced from PubChem (CID 10085307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).