3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one

C12H22O2Si — CID 15649271

IUPAC3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OCC1=CC(=O)CC1
InChIInChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)14-9-10-6-7-11(13)8-10/h8H,6-7,9H2,1-5H3
InChIKeyLBJZNDKLHUKXBU-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.30
Rot. Bonds3

About 3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one

3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one (PubChem CID 15649271) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one
PubChem CID15649271
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OCC1=CC(=O)CC1
InChIInChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)14-9-10-6-7-11(13)8-10/h8H,6-7,9H2,1-5H3
InChIKeyLBJZNDKLHUKXBU-UHFFFAOYSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.30
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-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-pyrrol-2-yl]ethanone
CID 158326972
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-1H-pyridin-4-one
CID 140824907
(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one
CID 11402212
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,8-dimethoxynaphthalene-1,2-dione
CID 100999314
4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one
CID 59734106
tert-butyl-dimethyl-(3H-pyrrol-5-ylmethoxy)silane
CID 59493931
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)pyran-4-one
CID 22937909
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-1H-inden-5-ol
CID 175351456
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531
tert-butyl-[(4-tert-butylphenyl)methoxy]-dimethylsilane
CID 101140446
tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane
CID 10020633
5-[[tert-butyl(dimethyl)silyl]oxymethyl]benzene-1,3-diamine
CID 71429023

Frequently Asked Questions

What is the IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one?
The IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one (CID 15649271) is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one?
The canonical SMILES for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one is CC(C)(C)[Si](C)(C)OCC1=CC(=O)CC1.
What is the InChIKey of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one?
The InChIKey is LBJZNDKLHUKXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)14-9-10-6-7-11(13)8-10/h8H,6-7,9H2,1-5H3.
What are the key properties of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one?
3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one has a molecular weight of 226.39 g/mol, XLogP of 3.30, 3 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]oxymethyl]cyclopent-2-en-1-one is sourced from PubChem (CID 15649271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).