3-tert-butyl-3-dimethylsilyloxyoxan-2-one

C11H22O3Si — CID 173360235

IUPAC3-tert-butyl-3-dimethylsilyloxyoxan-2-one
SMILESC[SiH](C)OC1(C(C)(C)C)CCCOC1=O
InChIInChI=1S/C11H22O3Si/c1-10(2,3)11(14-15(4)5)7-6-8-13-9(11)12/h15H,6-8H2,1-5H3
InChIKeyCYFFJIJUYZITAP-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.11
Rot. Bonds2

About 3-tert-butyl-3-dimethylsilyloxyoxan-2-one

3-tert-butyl-3-dimethylsilyloxyoxan-2-one (PubChem CID 173360235) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is 3-tert-butyl-3-dimethylsilyloxyoxan-2-one.

Molecular Properties

Compound Name3-tert-butyl-3-dimethylsilyloxyoxan-2-one
PubChem CID173360235
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name3-tert-butyl-3-dimethylsilyloxyoxan-2-one
SMILESC[SiH](C)OC1(C(C)(C)C)CCCOC1=O
InChIInChI=1S/C11H22O3Si/c1-10(2,3)11(14-15(4)5)7-6-8-13-9(11)12/h15H,6-8H2,1-5H3
InChIKeyCYFFJIJUYZITAP-UHFFFAOYSA-N
XLogP2.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-tert-butyl-3-dimethylsilyloxyoxane-2,6-dione
CID 174975995
(3R)-3-hydroxy-3-methyloxan-2-one
CID 122221331
3-amino-3-methyloxan-2-one;hydrochloride
CID 19437229
3,3-bis(methylsulfanyl)oxan-2-one
CID 71327849
3,3-dimethyl-oxacyclopentadecan-2-one
CID 71147227
3,3-bis(sulfanyl)oxepan-2-one
CID 87857220
3,3,4,4-tetramethyl-oxacyclopentadecan-2-one
CID 150459671
N-(3-methyl-2-oxooxan-3-yl)acetamide
CID 54276276
(3R)-3-[(E)-but-2-enyl]-2-oxooxane-3-carboxylic acid
CID 138595239
5-tert-butyl-3-(2,2-dimethylpropyl)-3-methyloxonan-2-one
CID 167604700
(3S)-3-methyl-3-[(E)-2-nitroethenyl]oxan-2-one
CID 10976182
(3S)-3-bromo-3-methyloxolan-2-one
CID 15939456

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-dimethylsilyloxyoxan-2-one?
The IUPAC name of 3-tert-butyl-3-dimethylsilyloxyoxan-2-one (CID 173360235) is 3-tert-butyl-3-dimethylsilyloxyoxan-2-one.
What is the SMILES notation for 3-tert-butyl-3-dimethylsilyloxyoxan-2-one?
The canonical SMILES for 3-tert-butyl-3-dimethylsilyloxyoxan-2-one is C[SiH](C)OC1(C(C)(C)C)CCCOC1=O.
What is the InChIKey of 3-tert-butyl-3-dimethylsilyloxyoxan-2-one?
The InChIKey is CYFFJIJUYZITAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-10(2,3)11(14-15(4)5)7-6-8-13-9(11)12/h15H,6-8H2,1-5H3.
What are the key properties of 3-tert-butyl-3-dimethylsilyloxyoxan-2-one?
3-tert-butyl-3-dimethylsilyloxyoxan-2-one has a molecular weight of 230.38 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-dimethylsilyloxyoxan-2-one is sourced from PubChem (CID 173360235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).