1-[methyl(propanoyl)silyl]propan-1-one

C7H14O2Si — CID 123469086

IUPAC1-[methyl(propanoyl)silyl]propan-1-one
SMILESCCC(=O)[SiH](C)C(=O)CC
InChIInChI=1S/C7H14O2Si/c1-4-6(8)10(3)7(9)5-2/h10H,4-5H2,1-3H3
InChIKeyVHOYGVHAYWOZQQ-UHFFFAOYSA-N
MW158.27 g/mol
LogP0.88
Rot. Bonds4

About 1-[methyl(propanoyl)silyl]propan-1-one

1-[methyl(propanoyl)silyl]propan-1-one (PubChem CID 123469086) has the molecular formula C7H14O2Si and a molecular weight of 158.27 g/mol. Its IUPAC name is 1-[methyl(propanoyl)silyl]propan-1-one.

Molecular Properties

Compound Name1-[methyl(propanoyl)silyl]propan-1-one
PubChem CID123469086
Molecular FormulaC7H14O2Si
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name1-[methyl(propanoyl)silyl]propan-1-one
SMILESCCC(=O)[SiH](C)C(=O)CC
InChIInChI=1S/C7H14O2Si/c1-4-6(8)10(3)7(9)5-2/h10H,4-5H2,1-3H3
InChIKeyVHOYGVHAYWOZQQ-UHFFFAOYSA-N
XLogP0.88
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 50.88
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

propanethioic S-acid
CID 87087684
N-sulfinylpropanamide
CID 174513933
S-hydroxy propanethioate
CID 173150014
carbonodithioic S,S-acid;(ethyldisulfanyl)ethane
CID 175110136
propanoic acid;terephthalic acid
CID 158352815
copper;propanoic acid
CID 5150615
chromium;propanoic acid
CID 87085581
indigane;propanoic acid
CID 173208103
pentan-3-one;trihydrochloride
CID 172711203
propanoate;tin(4+)
CID 167712674
propanoate;hydrate
CID 19032208
mercury(2+);propanoic acid
CID 23623813

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(propanoyl)silyl]propan-1-one?
The IUPAC name of 1-[methyl(propanoyl)silyl]propan-1-one (CID 123469086) is 1-[methyl(propanoyl)silyl]propan-1-one.
What is the SMILES notation for 1-[methyl(propanoyl)silyl]propan-1-one?
The canonical SMILES for 1-[methyl(propanoyl)silyl]propan-1-one is CCC(=O)[SiH](C)C(=O)CC.
What is the InChIKey of 1-[methyl(propanoyl)silyl]propan-1-one?
The InChIKey is VHOYGVHAYWOZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2Si/c1-4-6(8)10(3)7(9)5-2/h10H,4-5H2,1-3H3.
What are the key properties of 1-[methyl(propanoyl)silyl]propan-1-one?
1-[methyl(propanoyl)silyl]propan-1-one has a molecular weight of 158.27 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(propanoyl)silyl]propan-1-one is sourced from PubChem (CID 123469086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).