3-[dimethyl(propan-2-yloxy)silyl]pentan-2-one

C10H22O2Si — CID 72740803

IUPAC3-[dimethyl(propan-2-yloxy)silyl]pentan-2-one
SMILESCCC(C(C)=O)[Si](C)(C)OC(C)C
InChIInChI=1S/C10H22O2Si/c1-7-10(9(4)11)13(5,6)12-8(2)3/h8,10H,7H2,1-6H3
InChIKeyQRGCFBOJYGEGBB-UHFFFAOYSA-N
MW202.37 g/mol
LogP2.99
Rot. Bonds5

About 3-[dimethyl(propan-2-yloxy)silyl]pentan-2-one

3-[dimethyl(propan-2-yloxy)silyl]pentan-2-one (PubChem CID 72740803) has the molecular formula C10H22O2Si and a molecular weight of 202.37 g/mol. Its IUPAC name is 3-[dimethyl(propan-2-yloxy)silyl]pentan-2-one.

Molecular Properties

Compound Name3-[dimethyl(propan-2-yloxy)silyl]pentan-2-one
PubChem CID72740803
Molecular FormulaC10H22O2Si
Molecular Weight202.37 g/mol
Exact Mass202.14
IUPAC Name3-[dimethyl(propan-2-yloxy)silyl]pentan-2-one
SMILESCCC(C(C)=O)[Si](C)(C)OC(C)C
InChIInChI=1S/C10H22O2Si/c1-7-10(9(4)11)13(5,6)12-8(2)3/h8,10H,7H2,1-6H3
InChIKeyQRGCFBOJYGEGBB-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 52.99
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

5-[(Tert-butyldimethylsilyl)oxy]pentan-2-one
CID 10680263
2-Butanone, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11041831
(3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-one
CID 10488938
(4R)-4-[tert-butyl(dimethyl)silyl]oxypentan-2-one
CID 25198747
Butyldimethylsilylpentadione
CID 87854103
(3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-one
CID 10822006
6-Triethoxysilylhexan-2-one
CID 140446900
3-Pentanone, 2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (2S)-
CID 11009378
Bis(4-oxo-2-pentoxy)dimethylsilane
CID 14709090
4-[Tert-butyl(dimethyl)silyl]oxypentan-2-one
CID 15142243
(2R)-2-{[tert-Butyl(dimethyl)silyl]oxy}pentan-3-one
CID 56590592
3-[Dimethyl(propan-2-yloxy)silyl]heptan-4-one
CID 72740800

Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl(propan-2-yloxy)silyl]pentan-2-one?
The IUPAC name of 3-[dimethyl(propan-2-yloxy)silyl]pentan-2-one (CID 72740803) is 3-[dimethyl(propan-2-yloxy)silyl]pentan-2-one.
What is the SMILES notation for 3-[dimethyl(propan-2-yloxy)silyl]pentan-2-one?
The canonical SMILES for 3-[dimethyl(propan-2-yloxy)silyl]pentan-2-one is CCC(C(C)=O)[Si](C)(C)OC(C)C.
What is the InChIKey of 3-[dimethyl(propan-2-yloxy)silyl]pentan-2-one?
The InChIKey is QRGCFBOJYGEGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2Si/c1-7-10(9(4)11)13(5,6)12-8(2)3/h8,10H,7H2,1-6H3.
What are the key properties of 3-[dimethyl(propan-2-yloxy)silyl]pentan-2-one?
3-[dimethyl(propan-2-yloxy)silyl]pentan-2-one has a molecular weight of 202.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl(propan-2-yloxy)silyl]pentan-2-one is sourced from PubChem (CID 72740803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).