5-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-one

C14H28O2Si — CID 10978090

IUPAC5-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-one
SMILESCC(C)(C)[Si](C)(C)OC1CCCC(=O)CCC1
InChIInChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-13-10-6-8-12(15)9-7-11-13/h13H,6-11H2,1-5H3
InChIKeyBETPGNAHXIDZEQ-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.30
Rot. Bonds2

About 5-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-one

5-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-one (PubChem CID 10978090) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-one.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-one
PubChem CID10978090
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-one
SMILESCC(C)(C)[Si](C)(C)OC1CCCC(=O)CCC1
InChIInChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-13-10-6-8-12(15)9-7-11-13/h13H,6-11H2,1-5H3
InChIKeyBETPGNAHXIDZEQ-UHFFFAOYSA-N
XLogP4.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.30
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 5-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-one?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-one (CID 10978090) is 5-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-one.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-one?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-one is CC(C)(C)[Si](C)(C)OC1CCCC(=O)CCC1.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-one?
The InChIKey is BETPGNAHXIDZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-13-10-6-8-12(15)9-7-11-13/h13H,6-11H2,1-5H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-one?
5-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-one has a molecular weight of 256.46 g/mol, XLogP of 4.30, 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]oxycyclooctan-1-one is sourced from PubChem (CID 10978090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).