4-trimethylsilylcycloheptan-1-one

C10H20OSi — CID 12768537

IUPAC4-trimethylsilylcycloheptan-1-one
SMILESC[Si](C)(C)C1CCCC(=O)CC1
InChIInChI=1S/C10H20OSi/c1-12(2,3)10-6-4-5-9(11)7-8-10/h10H,4-8H2,1-3H3
InChIKeyVOTCNMOWQFWGKG-UHFFFAOYSA-N
MW184.35 g/mol
LogP3.23
Rot. Bonds1

About 4-trimethylsilylcycloheptan-1-one

4-trimethylsilylcycloheptan-1-one (PubChem CID 12768537) has the molecular formula C10H20OSi and a molecular weight of 184.35 g/mol. Its IUPAC name is 4-trimethylsilylcycloheptan-1-one.

Molecular Properties

Compound Name4-trimethylsilylcycloheptan-1-one
PubChem CID12768537
Molecular FormulaC10H20OSi
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name4-trimethylsilylcycloheptan-1-one
SMILESC[Si](C)(C)C1CCCC(=O)CC1
InChIInChI=1S/C10H20OSi/c1-12(2,3)10-6-4-5-9(11)7-8-10/h10H,4-8H2,1-3H3
InChIKeyVOTCNMOWQFWGKG-UHFFFAOYSA-N
XLogP3.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Octyl trimethylsilyl ketone
CID 3538356
trans-(2R,7R)-2-[tert-butyl(dimethyl)silyl]-7-fluorocycloheptan-1-one
CID 11746886
cis-(2R,7S)-2-[tert-butyl(dimethyl)silyl]-7-fluorocycloheptan-1-one
CID 15339852
Undecanoyl-trimethylsilane
CID 13601208
1-Trimethylsilyldecan-1-one
CID 11790984
1-(Trimethylsilyl)heptan-1-one
CID 12829476
1-Trimethylsilyloctan-4-one
CID 60040811
1,1-Dimethylsilacyclotridecan-7-one
CID 554403
1-Triethylsilyloctan-3-one
CID 10332003
(2R)-2-[tert-butyl(dimethyl)silyl]cycloheptan-1-one
CID 10878880
Silane, trimethyl(1-oxooctyl)-
CID 11117077
1-Triethylsilylheptan-1-one
CID 11447533

Frequently Asked Questions

What is the IUPAC name of 4-trimethylsilylcycloheptan-1-one?
The IUPAC name of 4-trimethylsilylcycloheptan-1-one (CID 12768537) is 4-trimethylsilylcycloheptan-1-one.
What is the SMILES notation for 4-trimethylsilylcycloheptan-1-one?
The canonical SMILES for 4-trimethylsilylcycloheptan-1-one is C[Si](C)(C)C1CCCC(=O)CC1.
What is the InChIKey of 4-trimethylsilylcycloheptan-1-one?
The InChIKey is VOTCNMOWQFWGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OSi/c1-12(2,3)10-6-4-5-9(11)7-8-10/h10H,4-8H2,1-3H3.
What are the key properties of 4-trimethylsilylcycloheptan-1-one?
4-trimethylsilylcycloheptan-1-one has a molecular weight of 184.35 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilylcycloheptan-1-one is sourced from PubChem (CID 12768537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).