2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one

C13H26O2Si — CID 14396580

IUPAC2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
SMILESCC(C)(C)[Si](C)(C)OC1CCCCCC1=O
InChIInChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11(12)14/h12H,6-10H2,1-5H3
InChIKeyJRLXHGYNQJVQKL-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.91
Rot. Bonds2

About 2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one

2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one (PubChem CID 14396580) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
PubChem CID14396580
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
SMILESCC(C)(C)[Si](C)(C)OC1CCCCCC1=O
InChIInChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11(12)14/h12H,6-10H2,1-5H3
InChIKeyJRLXHGYNQJVQKL-UHFFFAOYSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.91
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

tert-butyl-dimethyl-[2-(2-trimethylsilylethenylidene)cycloheptyl]oxysilane
CID 51349898
7-[tert-butyl(dimethyl)silyl]oxy-oxacyclotridecan-2-one
CID 102286780
(3E,6S,12R)-6-[tert-butyl(dimethyl)silyl]oxy-12-methyl-1-oxacyclododec-3-ene-2,5-dione
CID 134831896
(4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-one
CID 68797298
tert-butyl-[(1S,3Z)-3-(iodomethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane
CID 134887343
9-[tert-butyl(dimethyl)silyl]oxy-2-chloro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 71282049
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609
(1S,3aR,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 11369575
(2R)-2-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]cyclohexan-1-one
CID 124827096
tert-butyl-(5-cyclopentylidenecyclooctyl)oxy-dimethylsilane
CID 10638575
4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 85308334
9-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2,3,3a,6,7,8,9,10a-octahydro-1H-cyclopenta[9]annulene-5,10-dione
CID 10570034

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one (CID 14396580) is 2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one is CC(C)(C)[Si](C)(C)OC1CCCCCC1=O.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one?
The InChIKey is JRLXHGYNQJVQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11(12)14/h12H,6-10H2,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one?
2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one has a molecular weight of 242.43 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one is sourced from PubChem (CID 14396580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).