4-triethylsilyloxycyclohept-2-en-1-one

C13H24O2Si — CID 139985477

IUPAC4-triethylsilyloxycyclohept-2-en-1-one
SMILESCC[Si](CC)(CC)OC1C=CC(=O)CCC1
InChIInChI=1S/C13H24O2Si/c1-4-16(5-2,6-3)15-13-9-7-8-12(14)10-11-13/h10-11,13H,4-9H2,1-3H3
InChIKeyQDXVOPDRBPNGQH-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.69
Rot. Bonds5

About 4-triethylsilyloxycyclohept-2-en-1-one

4-triethylsilyloxycyclohept-2-en-1-one (PubChem CID 139985477) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is 4-triethylsilyloxycyclohept-2-en-1-one.

Molecular Properties

Compound Name4-triethylsilyloxycyclohept-2-en-1-one
PubChem CID139985477
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name4-triethylsilyloxycyclohept-2-en-1-one
SMILESCC[Si](CC)(CC)OC1C=CC(=O)CCC1
InChIInChI=1S/C13H24O2Si/c1-4-16(5-2,6-3)15-13-9-7-8-12(14)10-11-13/h10-11,13H,4-9H2,1-3H3
InChIKeyQDXVOPDRBPNGQH-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

(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one
CID 10911273
(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one
CID 11096317
2-Cyclohexen-1-one, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11345167
7-[Tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one
CID 13496136
3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-2-en-1-one
CID 11184065
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclohept-2-en-1-one
CID 101658121
(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-3-prop-2-enylcyclohept-2-en-1-one
CID 134967159
4-[Tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one
CID 14379684
Cyclopent-2-en-1-one;trimethyl(oct-1-en-3-yloxy)silane
CID 70573746
4-Triethylsilyloxycyclohex-2-en-1-one
CID 101739535
4-Tri(propan-2-yl)silyloxycyclohept-2-en-1-one
CID 139985467
4-Tri(propan-2-yl)silyloxycyclohex-2-en-1-one
CID 139985479

Frequently Asked Questions

What is the IUPAC name of 4-triethylsilyloxycyclohept-2-en-1-one?
The IUPAC name of 4-triethylsilyloxycyclohept-2-en-1-one (CID 139985477) is 4-triethylsilyloxycyclohept-2-en-1-one.
What is the SMILES notation for 4-triethylsilyloxycyclohept-2-en-1-one?
The canonical SMILES for 4-triethylsilyloxycyclohept-2-en-1-one is CC[Si](CC)(CC)OC1C=CC(=O)CCC1.
What is the InChIKey of 4-triethylsilyloxycyclohept-2-en-1-one?
The InChIKey is QDXVOPDRBPNGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-4-16(5-2,6-3)15-13-9-7-8-12(14)10-11-13/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 4-triethylsilyloxycyclohept-2-en-1-one?
4-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 4-triethylsilyloxycyclohept-2-en-1-one is sourced from PubChem (CID 139985477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).