4-[2,4-bis(2-trichlorosilylethyl)cyclopentyl]butan-2-one

C13H22Cl6OSi2 — CID 162052117

IUPAC4-[2,4-bis(2-trichlorosilylethyl)cyclopentyl]butan-2-one
SMILESCC(=O)CCC1CC(CC[Si](Cl)(Cl)Cl)CC1CC[Si](Cl)(Cl)Cl
InChIInChI=1S/C13H22Cl6OSi2/c1-10(20)2-3-12-8-11(4-6-21(14,15)16)9-13(12)5-7-22(17,18)19/h11-13H,2-9H2,1H3
InChIKeyHQAVWZSYSPHXMI-UHFFFAOYSA-N
MW463.21 g/mol
LogP7.09
Rot. Bonds9

About 4-[2,4-bis(2-trichlorosilylethyl)cyclopentyl]butan-2-one

4-[2,4-bis(2-trichlorosilylethyl)cyclopentyl]butan-2-one (PubChem CID 162052117) has the molecular formula C13H22Cl6OSi2 and a molecular weight of 463.21 g/mol. Its IUPAC name is 4-[2,4-bis(2-trichlorosilylethyl)cyclopentyl]butan-2-one.

Molecular Properties

Compound Name4-[2,4-bis(2-trichlorosilylethyl)cyclopentyl]butan-2-one
PubChem CID162052117
Molecular FormulaC13H22Cl6OSi2
Molecular Weight463.21 g/mol
Exact Mass459.93
IUPAC Name4-[2,4-bis(2-trichlorosilylethyl)cyclopentyl]butan-2-one
SMILESCC(=O)CCC1CC(CC[Si](Cl)(Cl)Cl)CC1CC[Si](Cl)(Cl)Cl
InChIInChI=1S/C13H22Cl6OSi2/c1-10(20)2-3-12-8-11(4-6-21(14,15)16)9-13(12)5-7-22(17,18)19/h11-13H,2-9H2,1H3
InChIKeyHQAVWZSYSPHXMI-UHFFFAOYSA-N
XLogP7.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.21
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(1R,2S)-2-methylcyclopropyl]butan-2-one
CID 45085231
4-(3,4,5-trimethylcyclohexyl)butan-2-one
CID 123855820
4-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)butan-2-one
CID 134964412
11-(2-hexylcyclopropyl)undecan-2-one
CID 20746928
4-(3-oxobutyl)-3-propyloxolan-2-one
CID 86573717
4-(3,3-difluorocyclobutyl)butan-2-one
CID 130963893
4-(4-acetylcyclohexyl)butan-2-one
CID 58356027
5-[chloro(dimethyl)silyl]pentan-2-one
CID 166025263
4-(1-azabicyclo[2.2.2]octan-3-yl)butan-2-one
CID 83985982
hexane-2,5-dione
CID 8035
4-[(1R)-2,2-dimethylcyclopropyl]butan-2-one
CID 134971339
4-(1-methylaziridin-2-yl)butan-2-one
CID 167665229

Frequently Asked Questions

What is the IUPAC name of 4-[2,4-bis(2-trichlorosilylethyl)cyclopentyl]butan-2-one?
The IUPAC name of 4-[2,4-bis(2-trichlorosilylethyl)cyclopentyl]butan-2-one (CID 162052117) is 4-[2,4-bis(2-trichlorosilylethyl)cyclopentyl]butan-2-one.
What is the SMILES notation for 4-[2,4-bis(2-trichlorosilylethyl)cyclopentyl]butan-2-one?
The canonical SMILES for 4-[2,4-bis(2-trichlorosilylethyl)cyclopentyl]butan-2-one is CC(=O)CCC1CC(CC[Si](Cl)(Cl)Cl)CC1CC[Si](Cl)(Cl)Cl.
What is the InChIKey of 4-[2,4-bis(2-trichlorosilylethyl)cyclopentyl]butan-2-one?
The InChIKey is HQAVWZSYSPHXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22Cl6OSi2/c1-10(20)2-3-12-8-11(4-6-21(14,15)16)9-13(12)5-7-22(17,18)19/h11-13H,2-9H2,1H3.
What are the key properties of 4-[2,4-bis(2-trichlorosilylethyl)cyclopentyl]butan-2-one?
4-[2,4-bis(2-trichlorosilylethyl)cyclopentyl]butan-2-one has a molecular weight of 463.21 g/mol, XLogP of 7.09, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-bis(2-trichlorosilylethyl)cyclopentyl]butan-2-one is sourced from PubChem (CID 162052117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).