3-dimethylsilyloxy-4,4-dimethylpentan-2-one

C9H20O2Si — CID 173030101

IUPAC3-dimethylsilyloxy-4,4-dimethylpentan-2-one
SMILESCC(=O)C(O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C9H20O2Si/c1-7(10)8(9(2,3)4)11-12(5)6/h8,12H,1-6H3
InChIKeyOMZFIBUJCRYVKN-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.99
Rot. Bonds3

About 3-dimethylsilyloxy-4,4-dimethylpentan-2-one

3-dimethylsilyloxy-4,4-dimethylpentan-2-one (PubChem CID 173030101) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is 3-dimethylsilyloxy-4,4-dimethylpentan-2-one.

Molecular Properties

Compound Name3-dimethylsilyloxy-4,4-dimethylpentan-2-one
PubChem CID173030101
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name3-dimethylsilyloxy-4,4-dimethylpentan-2-one
SMILESCC(=O)C(O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C9H20O2Si/c1-7(10)8(9(2,3)4)11-12(5)6/h8,12H,1-6H3
InChIKeyOMZFIBUJCRYVKN-UHFFFAOYSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.99
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

4-dimethylsilyloxy-5,5-dimethylhex-1-en-3-one
CID 173343952
3-ethoxy-4,4-dimethylpentan-2-one
CID 83225226
N-[3,5-bis(1-dimethylsilyloxy-2,2-dimethylpropyl)phenyl]acetamide
CID 175220794
(1S)-1-dimethylsilyloxy-3,3-dimethyl-2-propan-2-ylbutan-1-ol
CID 173123768
1-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-1H-imidazol-2-yl]ethanone
CID 173491713
2-methoxy-3,3-dimethylbutanamide
CID 87392254
(2-dimethylsilyloxy-3,3-dimethylbutyl) ethenyl carbonate
CID 173002161
2-dimethylsilyloxybutyl 2-methylprop-2-enoate
CID 123902003
(5S)-2,2-ditert-butyl-5-dimethylsilyloxyhexanoic acid
CID 123871639
(1R)-1-dimethylsilyloxy-4,5,5-trimethylhexan-1-ol
CID 173147823
2-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)phenyl]acetic acid
CID 91999158
methyl (3R)-3-(cyanomethyl)-2-dimethylsilyloxy-4,4-dimethylpentanoate
CID 173412976

Frequently Asked Questions

What is the IUPAC name of 3-dimethylsilyloxy-4,4-dimethylpentan-2-one?
The IUPAC name of 3-dimethylsilyloxy-4,4-dimethylpentan-2-one (CID 173030101) is 3-dimethylsilyloxy-4,4-dimethylpentan-2-one.
What is the SMILES notation for 3-dimethylsilyloxy-4,4-dimethylpentan-2-one?
The canonical SMILES for 3-dimethylsilyloxy-4,4-dimethylpentan-2-one is CC(=O)C(O[SiH](C)C)C(C)(C)C.
What is the InChIKey of 3-dimethylsilyloxy-4,4-dimethylpentan-2-one?
The InChIKey is OMZFIBUJCRYVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-7(10)8(9(2,3)4)11-12(5)6/h8,12H,1-6H3.
What are the key properties of 3-dimethylsilyloxy-4,4-dimethylpentan-2-one?
3-dimethylsilyloxy-4,4-dimethylpentan-2-one has a molecular weight of 188.34 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethylsilyloxy-4,4-dimethylpentan-2-one is sourced from PubChem (CID 173030101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).