5-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-one

C18H36O4Si — CID 101404352

IUPAC5-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-one
SMILESCC(=O)CCCC1OC(C)(C)OC1C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O4Si/c1-13(19)11-10-12-15-16(21-18(6,7)20-15)14(2)22-23(8,9)17(3,4)5/h14-16H,10-12H2,1-9H3
InChIKeySCRLCKOUOZBGFO-UHFFFAOYSA-N
MW344.57 g/mol
LogP4.68
Rot. Bonds7

About 5-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-one

5-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-one (PubChem CID 101404352) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is 5-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-one.

Molecular Properties

Compound Name5-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-one
PubChem CID101404352
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name5-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-one
SMILESCC(=O)CCCC1OC(C)(C)OC1C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O4Si/c1-13(19)11-10-12-15-16(21-18(6,7)20-15)14(2)22-23(8,9)17(3,4)5/h14-16H,10-12H2,1-9H3
InChIKeySCRLCKOUOZBGFO-UHFFFAOYSA-N
XLogP4.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-propanoyl-1,3-dioxolan-4-yl]propan-1-one
CID 162402950
Glycerol, 1-hexadecanoate, DTBS
CID 523755
8-t-Butyldimethylsilyloxy-1-(2,2-Dimethyl-1,3-Dioxolan-4-yl)-2-Hydroxyoctan-4-One
CID 10317308
(7S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxolan-2-yl)decan-3-one
CID 153499438
7-[Tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxolan-2-yl)heptan-3-one
CID 173715717
8-[Tert-butyl(dimethyl)silyl]oxy-1-(2,2-diethyl-1,3-dioxolan-4-yl)-2-hydroxyoctan-4-one
CID 10386422
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]octanal
CID 10949071
(2S,6R,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]-2,6,10-trimethylundecan-4-one
CID 11072176
7-[Tert-butyl(dimethyl)silyl]oxy-10-methyl-1,4,11-trioxaspiro[4.9]tetradecan-12-one
CID 11100445
(2S,6R,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4R,5S)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]-2,6,10-trimethylundecan-4-one
CID 11135851
(4S,5R)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methyl-4-[(2R)-2-methyl-3-oxopentyl]-1,3-dioxolan-2-one
CID 11349294
(6R)-6-[(4R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-one
CID 11582113

Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-one?
The IUPAC name of 5-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-one (CID 101404352) is 5-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-one.
What is the SMILES notation for 5-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-one?
The canonical SMILES for 5-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-one is CC(=O)CCCC1OC(C)(C)OC1C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-one?
The InChIKey is SCRLCKOUOZBGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-13(19)11-10-12-15-16(21-18(6,7)20-15)14(2)22-23(8,9)17(3,4)5/h14-16H,10-12H2,1-9H3.
What are the key properties of 5-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-one?
5-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-one has a molecular weight of 344.57 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-one is sourced from PubChem (CID 101404352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).