1-[6-(trimethylsilylmethyl)-7-bicyclo[4.2.0]octanyl]ethanone

C14H26OSi — CID 15074443

IUPAC1-[6-(trimethylsilylmethyl)-7-bicyclo[4.2.0]octanyl]ethanone
SMILESCC(=O)C1CC2CCCCC21C[Si](C)(C)C
InChIInChI=1S/C14H26OSi/c1-11(15)13-9-12-7-5-6-8-14(12,13)10-16(2,3)4/h12-13H,5-10H2,1-4H3
InChIKeyARDBILQYGQEFCF-UHFFFAOYSA-N
MW238.45 g/mol
LogP4.11
Rot. Bonds3

About 1-[6-(trimethylsilylmethyl)-7-bicyclo[4.2.0]octanyl]ethanone

1-[6-(trimethylsilylmethyl)-7-bicyclo[4.2.0]octanyl]ethanone (PubChem CID 15074443) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is 1-[6-(trimethylsilylmethyl)-7-bicyclo[4.2.0]octanyl]ethanone.

Molecular Properties

Compound Name1-[6-(trimethylsilylmethyl)-7-bicyclo[4.2.0]octanyl]ethanone
PubChem CID15074443
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Name1-[6-(trimethylsilylmethyl)-7-bicyclo[4.2.0]octanyl]ethanone
SMILESCC(=O)C1CC2CCCCC21C[Si](C)(C)C
InChIInChI=1S/C14H26OSi/c1-11(15)13-9-12-7-5-6-8-14(12,13)10-16(2,3)4/h12-13H,5-10H2,1-4H3
InChIKeyARDBILQYGQEFCF-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 54.11
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

6-Methyl-bicyclo[4.2.0]octan-7-one
CID 557201
1-Methylbicyclo[4.2.0]octan-7-one
CID 12468934
Spiro[3.5]nonan-1-one, 5-methyl-, trans-
CID 557033
1-Propan-2-ylbicyclo[4.2.0]octan-7-one
CID 12789069
7,7-Dimethylbicyclo[4.2.0]octan-2-one
CID 13975930
(1S,6S)-1-methylbicyclo[4.2.0]octan-7-one
CID 130892213
8,8-Dimethylbicyclo[4.2.0]octan-7-one
CID 12452551
(-)-(R)-4,4-Dimethyl-3-(2-(trimethylsilyl)ethyl)cyclohexanone
CID 57336735
(3S)-3-methyl-3-(3-trimethylsilylpropyl)cyclohexan-1-one
CID 72192762
2(1H)-Benzocyclooctenone, decahydro-10a-methyl-, trans-
CID 41325
Czwvwmyesmgdlx-sczzxklosa-
CID 21674970
(1S,6S)-6-pentylbicyclo[4.2.0]octan-7-one
CID 11816400

Frequently Asked Questions

What is the IUPAC name of 1-[6-(trimethylsilylmethyl)-7-bicyclo[4.2.0]octanyl]ethanone?
The IUPAC name of 1-[6-(trimethylsilylmethyl)-7-bicyclo[4.2.0]octanyl]ethanone (CID 15074443) is 1-[6-(trimethylsilylmethyl)-7-bicyclo[4.2.0]octanyl]ethanone.
What is the SMILES notation for 1-[6-(trimethylsilylmethyl)-7-bicyclo[4.2.0]octanyl]ethanone?
The canonical SMILES for 1-[6-(trimethylsilylmethyl)-7-bicyclo[4.2.0]octanyl]ethanone is CC(=O)C1CC2CCCCC21C[Si](C)(C)C.
What is the InChIKey of 1-[6-(trimethylsilylmethyl)-7-bicyclo[4.2.0]octanyl]ethanone?
The InChIKey is ARDBILQYGQEFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26OSi/c1-11(15)13-9-12-7-5-6-8-14(12,13)10-16(2,3)4/h12-13H,5-10H2,1-4H3.
What are the key properties of 1-[6-(trimethylsilylmethyl)-7-bicyclo[4.2.0]octanyl]ethanone?
1-[6-(trimethylsilylmethyl)-7-bicyclo[4.2.0]octanyl]ethanone has a molecular weight of 238.45 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trimethylsilylmethyl)-7-bicyclo[4.2.0]octanyl]ethanone is sourced from PubChem (CID 15074443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).