3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentane-1,2-dione

C13H24O3Si — CID 101218952

IUPAC3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentane-1,2-dione
SMILESCC(C)(C)[Si](C)(C)OCCC1CCC(=O)C1=O
InChIInChI=1S/C13H24O3Si/c1-13(2,3)17(4,5)16-9-8-10-6-7-11(14)12(10)15/h10H,6-9H2,1-5H3
InChIKeySINQBBBHYBKNES-UHFFFAOYSA-N
MW256.42 g/mol
LogP2.95
Rot. Bonds4

About 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentane-1,2-dione

3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentane-1,2-dione (PubChem CID 101218952) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentane-1,2-dione.

Molecular Properties

Compound Name3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentane-1,2-dione
PubChem CID101218952
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentane-1,2-dione
SMILESCC(C)(C)[Si](C)(C)OCCC1CCC(=O)C1=O
InChIInChI=1S/C13H24O3Si/c1-13(2,3)17(4,5)16-9-8-10-6-7-11(14)12(10)15/h10H,6-9H2,1-5H3
InChIKeySINQBBBHYBKNES-UHFFFAOYSA-N
XLogP2.95
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,6-bis[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
CID 10928807
methyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-oxothiane-2-carboxylate
CID 139700390
[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexyl]methanol
CID 140982899
cis-(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one
CID 91867075
(6R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-iodooxocan-2-one
CID 102319320
trans-(2R,5S)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylcyclohexan-1-one
CID 10870267
4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one
CID 59734106
tert-butyl-dimethyl-[2-(5-trimethylsilyloxy-3,4-dihydro-2H-thiopyran-4-yl)ethoxy]silane
CID 139700383
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one
CID 71762485
tert-butyl-dimethyl-[2-[(2R,3S)-3-methyl-6-methylideneoxan-2-yl]ethoxy]silane
CID 10564008
(2S,5S)-2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one
CID 123213650
tert-butyl-dimethyl-[2-(4-nitrocyclohex-3-en-1-yl)ethoxy]silane
CID 175866159

Frequently Asked Questions

What is the IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentane-1,2-dione?
The IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentane-1,2-dione (CID 101218952) is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentane-1,2-dione.
What is the SMILES notation for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentane-1,2-dione?
The canonical SMILES for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentane-1,2-dione is CC(C)(C)[Si](C)(C)OCCC1CCC(=O)C1=O.
What is the InChIKey of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentane-1,2-dione?
The InChIKey is SINQBBBHYBKNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-13(2,3)17(4,5)16-9-8-10-6-7-11(14)12(10)15/h10H,6-9H2,1-5H3.
What are the key properties of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentane-1,2-dione?
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentane-1,2-dione has a molecular weight of 256.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentane-1,2-dione is sourced from PubChem (CID 101218952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).