6-[tert-butyl(dimethyl)silyl]oxycyclodecan-1-one

C16H32O2Si — CID 10379167

IUPAC6-[tert-butyl(dimethyl)silyl]oxycyclodecan-1-one
SMILESCC(C)(C)[Si](C)(C)OC1CCCCC(=O)CCCC1
InChIInChI=1S/C16H32O2Si/c1-16(2,3)19(4,5)18-15-12-8-6-10-14(17)11-7-9-13-15/h15H,6-13H2,1-5H3
InChIKeyMYVRUGXJTOFAFW-UHFFFAOYSA-N
MW284.52 g/mol
LogP5.08
Rot. Bonds2

About 6-[tert-butyl(dimethyl)silyl]oxycyclodecan-1-one

6-[tert-butyl(dimethyl)silyl]oxycyclodecan-1-one (PubChem CID 10379167) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxycyclodecan-1-one.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxycyclodecan-1-one
PubChem CID10379167
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxycyclodecan-1-one
SMILESCC(C)(C)[Si](C)(C)OC1CCCCC(=O)CCCC1
InChIInChI=1S/C16H32O2Si/c1-16(2,3)19(4,5)18-15-12-8-6-10-14(17)11-7-9-13-15/h15H,6-13H2,1-5H3
InChIKeyMYVRUGXJTOFAFW-UHFFFAOYSA-N
XLogP5.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.52
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxycyclodecan-1-one?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxycyclodecan-1-one (CID 10379167) is 6-[tert-butyl(dimethyl)silyl]oxycyclodecan-1-one.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxycyclodecan-1-one?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxycyclodecan-1-one is CC(C)(C)[Si](C)(C)OC1CCCCC(=O)CCCC1.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxycyclodecan-1-one?
The InChIKey is MYVRUGXJTOFAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-16(2,3)19(4,5)18-15-12-8-6-10-14(17)11-7-9-13-15/h15H,6-13H2,1-5H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxycyclodecan-1-one?
6-[tert-butyl(dimethyl)silyl]oxycyclodecan-1-one has a molecular weight of 284.52 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxycyclodecan-1-one is sourced from PubChem (CID 10379167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).