7-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one

C13H24O2Si — CID 13496136

IUPAC7-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC1CCCC=CC1=O
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11(12)14/h7,9,12H,6,8,10H2,1-5H3
InChIKeyZXFKVIIBQRHNJU-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.69
Rot. Bonds2

About 7-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one

7-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one (PubChem CID 13496136) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one
PubChem CID13496136
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC1CCCC=CC1=O
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11(12)14/h7,9,12H,6,8,10H2,1-5H3
InChIKeyZXFKVIIBQRHNJU-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.69
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 7-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one (CID 13496136) is 7-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one is CC(C)(C)[Si](C)(C)OC1CCCC=CC1=O.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one?
The InChIKey is ZXFKVIIBQRHNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11(12)14/h7,9,12H,6,8,10H2,1-5H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one?
7-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one has a molecular weight of 240.42 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one is sourced from PubChem (CID 13496136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).