3-[tert-butyl(dimethyl)silyl]oxy-1-(cyclopenten-1-yl)butan-1-one

C15H28O2Si — CID 123455813

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-1-(cyclopenten-1-yl)butan-1-one
SMILESCC(CC(=O)C1=CCCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-12(17-18(5,6)15(2,3)4)11-14(16)13-9-7-8-10-13/h9,12H,7-8,10-11H2,1-6H3
InChIKeyIWAPMZXILCMLTH-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.47
Rot. Bonds5

About 3-[tert-butyl(dimethyl)silyl]oxy-1-(cyclopenten-1-yl)butan-1-one

3-[tert-butyl(dimethyl)silyl]oxy-1-(cyclopenten-1-yl)butan-1-one (PubChem CID 123455813) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-1-(cyclopenten-1-yl)butan-1-one.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-1-(cyclopenten-1-yl)butan-1-one
PubChem CID123455813
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-1-(cyclopenten-1-yl)butan-1-one
SMILESCC(CC(=O)C1=CCCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-12(17-18(5,6)15(2,3)4)11-14(16)13-9-7-8-10-13/h9,12H,7-8,10-11H2,1-6H3
InChIKeyIWAPMZXILCMLTH-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexen-1-yl)-3-methylpentan-1-one
CID 114874040
3-[tert-butyl(dimethyl)silyl]oxy-3-(cyclohexen-1-yl)-N-oxopropanamide
CID 12871781
1-(cyclopenten-1-yl)-4,4-dimethylhexan-1-one
CID 129257201
1-(cyclohepten-1-yl)-3-methylhexan-1-one
CID 103450521
tert-butyl N-[2-(cyclopenten-1-yl)-2-oxoethyl]carbamate
CID 71146356
tert-butyl-[1-(cyclohexen-1-yl)ethenoxy]-dimethylsilane
CID 10955633
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(cyclopenten-1-yl)ethanone
CID 103448116
3-amino-1-(cyclohexen-1-yl)-3-methylbutan-1-one
CID 106655429
2-(cyclopentene-1-carbonyloxy)propyl cyclopentene-1-carboxylate
CID 150652864
(2S)-2-bromo-1-(cyclopenten-1-yl)propan-1-one
CID 86337331
1-(cyclohepten-1-yl)-4-methoxy-4-methylpentan-1-one
CID 103450416
3-(aminomethyl)-1-(cyclohexen-1-yl)pentan-1-one
CID 106655578

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-1-(cyclopenten-1-yl)butan-1-one?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-1-(cyclopenten-1-yl)butan-1-one (CID 123455813) is 3-[tert-butyl(dimethyl)silyl]oxy-1-(cyclopenten-1-yl)butan-1-one.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-1-(cyclopenten-1-yl)butan-1-one?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-1-(cyclopenten-1-yl)butan-1-one is CC(CC(=O)C1=CCCC1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-1-(cyclopenten-1-yl)butan-1-one?
The InChIKey is IWAPMZXILCMLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-12(17-18(5,6)15(2,3)4)11-14(16)13-9-7-8-10-13/h9,12H,7-8,10-11H2,1-6H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-1-(cyclopenten-1-yl)butan-1-one?
3-[tert-butyl(dimethyl)silyl]oxy-1-(cyclopenten-1-yl)butan-1-one has a molecular weight of 268.47 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-1-(cyclopenten-1-yl)butan-1-one is sourced from PubChem (CID 123455813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).