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

C13H24O2Si — CID 14379684

IUPAC4-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC1C=CC(=O)CCC1
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-8-6-7-11(14)9-10-12/h9-10,12H,6-8H2,1-5H3
InChIKeyUGMVFRXEGPTIFX-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.69
Rot. Bonds2

About 4-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one

4-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one (PubChem CID 14379684) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one
PubChem CID14379684
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC1C=CC(=O)CCC1
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-8-6-7-11(14)9-10-12/h9-10,12H,6-8H2,1-5H3
InChIKeyUGMVFRXEGPTIFX-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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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
3-[[(Tert-butyldimethylsilyl)oxy]methyl]-2-cyclopentenone
CID 15649271
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)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-en-1-one
CID 12666238
4-((tert-Butyldimethylsilyl)oxy)-3-methylcyclohex-2-en-1-one
CID 12666239
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-one
CID 46919446
(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
(RS)-3-allyl-4-oxo-2-cyclopenten-1-yl (t-butyldimethylsilyl) ether
CID 14189022

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one (CID 14379684) is 4-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one is CC(C)(C)[Si](C)(C)OC1C=CC(=O)CCC1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one?
The InChIKey is UGMVFRXEGPTIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-8-6-7-11(14)9-10-12/h9-10,12H,6-8H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one?
4-[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 4-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one is sourced from PubChem (CID 14379684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).