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

C13H26O2Si — CID 10900820

IUPAC(4R)-4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCC(=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/t12-/m1/s1
InChIKeyVWZXUWFQADLMIK-GFCCVEGCSA-N
MW242.43 g/mol
LogP3.91
Rot. Bonds2

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

(4R)-4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one (PubChem CID 10900820) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is (4R)-4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one.

Molecular Properties

Compound Name(4R)-4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
PubChem CID10900820
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name(4R)-4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCC(=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/t12-/m1/s1
InChIKeyVWZXUWFQADLMIK-GFCCVEGCSA-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

5-(Tert-butyldimethylsilyloxy)cyclooctanone
CID 10978090
(7S)-7-[tert-butyl(dimethyl)silyl]oxyoctan-4-one
CID 10244268
2-[Tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 14396580
(4S)-4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 102293907
(6R)-6-[tert-butyl(dimethyl)silyl]oxyoctan-3-one
CID 135039894
(2S,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxy]tridecan-6-one
CID 11201973
2,11-Bis[[tert-butyl(dimethyl)silyl]oxy]dodecan-6-one
CID 16116694
(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptan-2-one
CID 10977698
(+/-) 5-t-Butyldimethylsilyloxy-2-methylcycloheptanone
CID 20517420
7-[Tert-butyl(dimethyl)silyl]oxyheptane-2,4-dione
CID 59748623
4-[Tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 85308334
6-[Tert-butyl(dimethyl)silyl]oxyheptan-2-one
CID 85353265

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one?
The IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one (CID 10900820) is (4R)-4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one.
What is the SMILES notation for (4R)-4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one?
The canonical SMILES for (4R)-4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one is CC(C)(C)[Si](C)(C)O[C@@H]1CCCC(=O)CC1.
What is the InChIKey of (4R)-4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one?
The InChIKey is VWZXUWFQADLMIK-GFCCVEGCSA-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/t12-/m1/s1.
What are the key properties of (4R)-4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one?
(4R)-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 (4R)-4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one is sourced from PubChem (CID 10900820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).