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

C13H26O2Si — CID 85308334

IUPAC4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
SMILESCC(C)(C)[Si](C)(C)OC1CCCC(=O)CC1
InChIInChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-12-8-6-7-11(14)9-10-12/h12H,6-10H2,1-5H3
InChIKeyVWZXUWFQADLMIK-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.91
Rot. Bonds2

About 4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one

4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one (PubChem CID 85308334) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
PubChem CID85308334
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
SMILESCC(C)(C)[Si](C)(C)OC1CCCC(=O)CC1
InChIInChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-12-8-6-7-11(14)9-10-12/h12H,6-10H2,1-5H3
InChIKeyVWZXUWFQADLMIK-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-(5-cyclopentylidenecyclooctyl)oxy-dimethylsilane
CID 10638575
tert-butyl-dimethyl-(5-methylidenecyclooctyl)oxysilane
CID 11118631
7-[tert-butyl(dimethyl)silyl]oxy-oxacyclotridecan-2-one
CID 102286780
4-trimethylsilyloxycyclohexan-1-one
CID 53439909
4-methoxycycloheptan-1-one
CID 551377
4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one
CID 90036942
6-[tert-butyl(dimethyl)silyl]oxycyclodecan-1-ol
CID 11778782
cis-(2S,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one
CID 15109329
tert-butyl-cyclohept-4-en-1-yloxy-dimethylsilane
CID 11085508
4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one
CID 19385088
tert-butyl-[(5Z)-cycloundec-5-en-1-yl]oxy-dimethylsilane
CID 22177390
tert-butyl-dimethyl-[[(1R,4S,8S)-9-oxabicyclo[6.1.0]nonan-4-yl]oxy]silane
CID 140674612

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one (CID 85308334) is 4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one is CC(C)(C)[Si](C)(C)OC1CCCC(=O)CC1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one?
The InChIKey is VWZXUWFQADLMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-12-8-6-7-11(14)9-10-12/h12H,6-10H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one?
4-[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 4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one is sourced from PubChem (CID 85308334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).