4-(3-trimethoxysilylpropyl)cyclohexan-1-one

C12H24O4Si — CID 139978017

IUPAC4-(3-trimethoxysilylpropyl)cyclohexan-1-one
SMILESCO[Si](CCCC1CCC(=O)CC1)(OC)OC
InChIInChI=1S/C12H24O4Si/c1-14-17(15-2,16-3)10-4-5-11-6-8-12(13)9-7-11/h11H,4-10H2,1-3H3
InChIKeyRHTNGFJQTOZZLW-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.40
Rot. Bonds7

About 4-(3-trimethoxysilylpropyl)cyclohexan-1-one

4-(3-trimethoxysilylpropyl)cyclohexan-1-one (PubChem CID 139978017) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 4-(3-trimethoxysilylpropyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(3-trimethoxysilylpropyl)cyclohexan-1-one
PubChem CID139978017
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name4-(3-trimethoxysilylpropyl)cyclohexan-1-one
SMILESCO[Si](CCCC1CCC(=O)CC1)(OC)OC
InChIInChI=1S/C12H24O4Si/c1-14-17(15-2,16-3)10-4-5-11-6-8-12(13)9-7-11/h11H,4-10H2,1-3H3
InChIKeyRHTNGFJQTOZZLW-UHFFFAOYSA-N
XLogP2.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
Cyclohexanone, 2-[(trimethylsilyl)methyl]-
CID 11989260
1-Cyclohexyl-3-triethylsilylpropan-1-one
CID 10445048
2-Methyl-3-trimethylsilylcyclohexan-1-one
CID 12635911
cis-(2R,3R)-2-methyl-3-trimethylsilylcyclohexan-1-one
CID 12635913
1-Cyclohexyl-3-trimethylsilylpropan-1-one
CID 13225588
2-(3-Oxo-2-trimethylsilylbutyl)cyclohexan-1-one
CID 134889971
2-[4-[Tert-butyl(dimethyl)silyl]oxybut-2-ynyl]cyclohexan-1-one
CID 139254997
3-[2-[Fluoro(dimethyl)silyl]ethyl]cyclohexan-1-one
CID 10726818
2-[3-[Fluoro(dimethyl)silyl]propyl]cyclohexan-1-one
CID 100977891
2-(3-Trimethylsilylpropyl)cyclohexan-1-one
CID 10353148
2-[2-[Diethyl(methyl)silyl]ethyl]cyclohexan-1-one
CID 10398810

Frequently Asked Questions

What is the IUPAC name of 4-(3-trimethoxysilylpropyl)cyclohexan-1-one?
The IUPAC name of 4-(3-trimethoxysilylpropyl)cyclohexan-1-one (CID 139978017) is 4-(3-trimethoxysilylpropyl)cyclohexan-1-one.
What is the SMILES notation for 4-(3-trimethoxysilylpropyl)cyclohexan-1-one?
The canonical SMILES for 4-(3-trimethoxysilylpropyl)cyclohexan-1-one is CO[Si](CCCC1CCC(=O)CC1)(OC)OC.
What is the InChIKey of 4-(3-trimethoxysilylpropyl)cyclohexan-1-one?
The InChIKey is RHTNGFJQTOZZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-14-17(15-2,16-3)10-4-5-11-6-8-12(13)9-7-11/h11H,4-10H2,1-3H3.
What are the key properties of 4-(3-trimethoxysilylpropyl)cyclohexan-1-one?
4-(3-trimethoxysilylpropyl)cyclohexan-1-one has a molecular weight of 260.41 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-trimethoxysilylpropyl)cyclohexan-1-one is sourced from PubChem (CID 139978017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).