7-triethylsilyloxycyclohept-2-en-1-one

C13H24O2Si — CID 139985497

IUPAC7-triethylsilyloxycyclohept-2-en-1-one
SMILESCC[Si](CC)(CC)OC1CCCC=CC1=O
InChIInChI=1S/C13H24O2Si/c1-4-16(5-2,6-3)15-13-11-9-7-8-10-12(13)14/h8,10,13H,4-7,9,11H2,1-3H3
InChIKeyQSDPTAJHFKHXEV-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.69
Rot. Bonds5

About 7-triethylsilyloxycyclohept-2-en-1-one

7-triethylsilyloxycyclohept-2-en-1-one (PubChem CID 139985497) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is 7-triethylsilyloxycyclohept-2-en-1-one.

Molecular Properties

Compound Name7-triethylsilyloxycyclohept-2-en-1-one
PubChem CID139985497
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name7-triethylsilyloxycyclohept-2-en-1-one
SMILESCC[Si](CC)(CC)OC1CCCC=CC1=O
InChIInChI=1S/C13H24O2Si/c1-4-16(5-2,6-3)15-13-11-9-7-8-10-12(13)14/h8,10,13H,4-7,9,11H2,1-3H3
InChIKeyQSDPTAJHFKHXEV-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

6-Trimethylsilyloxycyclohex-2-en-1-one
CID 25191932
7-[Tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one
CID 13496136
(2E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxonona-2,8-dienal
CID 53494078
(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enal
CID 102100733
3-Triethylsilyloxyoct-7-en-2-one
CID 135036851
4-[Tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one
CID 14379684
6-Methyl-10-triethylsilyloxycyclodeca-2,6-dien-1-one
CID 57306257
6-(Tert-butyldimethylsilyloxy)cyclohex-2-enone
CID 102133175
6-Triethylsilyloxycyclohex-2-en-1-one
CID 139985457
4-Tri(propan-2-yl)silyloxycyclohept-2-en-1-one
CID 139985467
5-Tri(propan-2-yl)silyloxycyclopent-2-en-1-one
CID 139985471
4-Triethylsilyloxycyclohept-2-en-1-one
CID 139985477

Frequently Asked Questions

What is the IUPAC name of 7-triethylsilyloxycyclohept-2-en-1-one?
The IUPAC name of 7-triethylsilyloxycyclohept-2-en-1-one (CID 139985497) is 7-triethylsilyloxycyclohept-2-en-1-one.
What is the SMILES notation for 7-triethylsilyloxycyclohept-2-en-1-one?
The canonical SMILES for 7-triethylsilyloxycyclohept-2-en-1-one is CC[Si](CC)(CC)OC1CCCC=CC1=O.
What is the InChIKey of 7-triethylsilyloxycyclohept-2-en-1-one?
The InChIKey is QSDPTAJHFKHXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-4-16(5-2,6-3)15-13-11-9-7-8-10-12(13)14/h8,10,13H,4-7,9,11H2,1-3H3.
What are the key properties of 7-triethylsilyloxycyclohept-2-en-1-one?
7-triethylsilyloxycyclohept-2-en-1-one has a molecular weight of 240.42 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-triethylsilyloxycyclohept-2-en-1-one is sourced from PubChem (CID 139985497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).