1-(acetyl-methyl-pent-1-ynylsilyl)ethanone

C10H16O2Si — CID 89427508

IUPAC1-(acetyl-methyl-pent-1-ynylsilyl)ethanone
SMILESCCCC#C[Si](C)(C(C)=O)C(C)=O
InChIInChI=1S/C10H16O2Si/c1-5-6-7-8-13(4,9(2)11)10(3)12/h5-6H2,1-4H3
InChIKeyYPFHMGBUFWFUBQ-UHFFFAOYSA-N
MW196.32 g/mol
LogP1.66
Rot. Bonds3

About 1-(acetyl-methyl-pent-1-ynylsilyl)ethanone

1-(acetyl-methyl-pent-1-ynylsilyl)ethanone (PubChem CID 89427508) has the molecular formula C10H16O2Si and a molecular weight of 196.32 g/mol. Its IUPAC name is 1-(acetyl-methyl-pent-1-ynylsilyl)ethanone.

Molecular Properties

Compound Name1-(acetyl-methyl-pent-1-ynylsilyl)ethanone
PubChem CID89427508
Molecular FormulaC10H16O2Si
Molecular Weight196.32 g/mol
Exact Mass196.09
IUPAC Name1-(acetyl-methyl-pent-1-ynylsilyl)ethanone
SMILESCCCC#C[Si](C)(C(C)=O)C(C)=O
InChIInChI=1S/C10H16O2Si/c1-5-6-7-8-13(4,9(2)11)10(3)12/h5-6H2,1-4H3
InChIKeyYPFHMGBUFWFUBQ-UHFFFAOYSA-N
XLogP1.66
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[dimethyl(pent-1-ynyl)silyl]oxy-dimethyl-pent-1-ynylsilane
CID 156633115
non-5-yn-2-one
CID 14901661
hex-2-ynethioic S-acid
CID 57208590
bis(copper(1+));bis(hex-1-ynyl(trimethyl)silane);oxalate
CID 173167461
methyl (E)-3-methyloct-2-en-4-ynoate
CID 135083767
1-trimethylsilylundec-1-yn-6-one
CID 176819872
hept-3-ynamide
CID 55289382
hexadeca-4,6,10,12-tetraynoic acid
CID 168864619
2,2-dimethyloct-4-yn-3-one
CID 14044073
S-non-5-ynyl ethanethioate
CID 10375487
pent-1-ynyl 3-oxobutanoate
CID 174922312
trioctyl(pent-1-ynyl)silane
CID 154124508

Frequently Asked Questions

What is the IUPAC name of 1-(acetyl-methyl-pent-1-ynylsilyl)ethanone?
The IUPAC name of 1-(acetyl-methyl-pent-1-ynylsilyl)ethanone (CID 89427508) is 1-(acetyl-methyl-pent-1-ynylsilyl)ethanone.
What is the SMILES notation for 1-(acetyl-methyl-pent-1-ynylsilyl)ethanone?
The canonical SMILES for 1-(acetyl-methyl-pent-1-ynylsilyl)ethanone is CCCC#C[Si](C)(C(C)=O)C(C)=O.
What is the InChIKey of 1-(acetyl-methyl-pent-1-ynylsilyl)ethanone?
The InChIKey is YPFHMGBUFWFUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2Si/c1-5-6-7-8-13(4,9(2)11)10(3)12/h5-6H2,1-4H3.
What are the key properties of 1-(acetyl-methyl-pent-1-ynylsilyl)ethanone?
1-(acetyl-methyl-pent-1-ynylsilyl)ethanone has a molecular weight of 196.32 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(acetyl-methyl-pent-1-ynylsilyl)ethanone is sourced from PubChem (CID 89427508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).