4-[3-[methyl(dipropoxy)silyl]propyl]cyclohexan-1-one

C16H32O3Si — CID 141200020

IUPAC4-[3-[methyl(dipropoxy)silyl]propyl]cyclohexan-1-one
SMILESCCCO[Si](C)(CCCC1CCC(=O)CC1)OCCC
InChIInChI=1S/C16H32O3Si/c1-4-12-18-20(3,19-13-5-2)14-6-7-15-8-10-16(17)11-9-15/h15H,4-14H2,1-3H3
InChIKeyNBRAGYLFXAQXOY-UHFFFAOYSA-N
MW300.51 g/mol
LogP4.45
Rot. Bonds10

About 4-[3-[methyl(dipropoxy)silyl]propyl]cyclohexan-1-one

4-[3-[methyl(dipropoxy)silyl]propyl]cyclohexan-1-one (PubChem CID 141200020) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is 4-[3-[methyl(dipropoxy)silyl]propyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[3-[methyl(dipropoxy)silyl]propyl]cyclohexan-1-one
PubChem CID141200020
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Name4-[3-[methyl(dipropoxy)silyl]propyl]cyclohexan-1-one
SMILESCCCO[Si](C)(CCCC1CCC(=O)CC1)OCCC
InChIInChI=1S/C16H32O3Si/c1-4-12-18-20(3,19-13-5-2)14-6-7-15-8-10-16(17)11-9-15/h15H,4-14H2,1-3H3
InChIKeyNBRAGYLFXAQXOY-UHFFFAOYSA-N
XLogP4.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.45
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

1-Cyclohexyl-2-(trimethylsilyl)ethanone
CID 552815
3-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
CID 10085307
(1S)-1-{[tert-Butyl(dimethyl)silyl]oxy}-1-cyclohexylbutan-2-one
CID 13228831
(1R)-1-{[tert-Butyl(dimethyl)silyl]oxy}-1-cyclohexylbutan-2-one
CID 71421165
1-Cyclohexyl-3-triethylsilylpropan-1-one
CID 10445048
3-[3-Tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-one
CID 12885229
1-Cyclohexyl-3-trimethylsilylpropan-1-one
CID 13225588
1-Cyclohexyl-3-(triisopropylsilyl)prop-2-yn-1-one
CID 122380975
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-2-yn-1-one
CID 134857745
2-(3-Oxo-2-trimethylsilylbutyl)cyclohexan-1-one
CID 134889971
(4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloctan-2-one
CID 135039023
2-[4-[Tert-butyl(dimethyl)silyl]oxybut-2-ynyl]cyclohexan-1-one
CID 139254997

Frequently Asked Questions

What is the IUPAC name of 4-[3-[methyl(dipropoxy)silyl]propyl]cyclohexan-1-one?
The IUPAC name of 4-[3-[methyl(dipropoxy)silyl]propyl]cyclohexan-1-one (CID 141200020) is 4-[3-[methyl(dipropoxy)silyl]propyl]cyclohexan-1-one.
What is the SMILES notation for 4-[3-[methyl(dipropoxy)silyl]propyl]cyclohexan-1-one?
The canonical SMILES for 4-[3-[methyl(dipropoxy)silyl]propyl]cyclohexan-1-one is CCCO[Si](C)(CCCC1CCC(=O)CC1)OCCC.
What is the InChIKey of 4-[3-[methyl(dipropoxy)silyl]propyl]cyclohexan-1-one?
The InChIKey is NBRAGYLFXAQXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-4-12-18-20(3,19-13-5-2)14-6-7-15-8-10-16(17)11-9-15/h15H,4-14H2,1-3H3.
What are the key properties of 4-[3-[methyl(dipropoxy)silyl]propyl]cyclohexan-1-one?
4-[3-[methyl(dipropoxy)silyl]propyl]cyclohexan-1-one has a molecular weight of 300.51 g/mol, XLogP of 4.45, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[methyl(dipropoxy)silyl]propyl]cyclohexan-1-one is sourced from PubChem (CID 141200020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).