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

C18H36O4Si — CID 141200065

IUPAC4-(3-tripropoxysilylpropyl)cyclohexan-1-one
SMILESCCCO[Si](CCCC1CCC(=O)CC1)(OCCC)OCCC
InChIInChI=1S/C18H36O4Si/c1-4-13-20-23(21-14-5-2,22-15-6-3)16-7-8-17-9-11-18(19)12-10-17/h17H,4-16H2,1-3H3
InChIKeySCZJPHXFNQSOQE-UHFFFAOYSA-N
MW344.57 g/mol
LogP4.74
Rot. Bonds13

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

4-(3-tripropoxysilylpropyl)cyclohexan-1-one (PubChem CID 141200065) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is 4-(3-tripropoxysilylpropyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(3-tripropoxysilylpropyl)cyclohexan-1-one
PubChem CID141200065
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name4-(3-tripropoxysilylpropyl)cyclohexan-1-one
SMILESCCCO[Si](CCCC1CCC(=O)CC1)(OCCC)OCCC
InChIInChI=1S/C18H36O4Si/c1-4-13-20-23(21-14-5-2,22-15-6-3)16-7-8-17-9-11-18(19)12-10-17/h17H,4-16H2,1-3H3
InChIKeySCZJPHXFNQSOQE-UHFFFAOYSA-N
XLogP4.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.74
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

4-[3-[methyl(dipropoxy)silyl]propyl]cyclohexan-1-one
CID 141200020
4-decylcyclohexan-1-one
CID 13479948
3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tripropoxysilane
CID 21267597
4-[2-(4-heptylcyclohexyl)ethyl]cyclohexan-1-one
CID 15006713
3-(3-tripropoxysilylpropyl)oxolane-2,5-dione
CID 152641894
3-pentylcyclopentan-1-one
CID 11040911
hexadecyl(tripropoxy)silane
CID 22228651
icosyl(tripropoxy)silane
CID 141079291
4-(fluoromethyl)cyclohexan-1-one;methane;propyl hypofluorite
CID 161415596
4-tripropoxysilylbutan-1-amine
CID 15986561
3-tripropoxysilylpropan-1-ol
CID 19080799
4-[1-(4-pentylcyclohexyl)ethyl]cyclohexan-1-one
CID 18964399

Frequently Asked Questions

What is the IUPAC name of 4-(3-tripropoxysilylpropyl)cyclohexan-1-one?
The IUPAC name of 4-(3-tripropoxysilylpropyl)cyclohexan-1-one (CID 141200065) is 4-(3-tripropoxysilylpropyl)cyclohexan-1-one.
What is the SMILES notation for 4-(3-tripropoxysilylpropyl)cyclohexan-1-one?
The canonical SMILES for 4-(3-tripropoxysilylpropyl)cyclohexan-1-one is CCCO[Si](CCCC1CCC(=O)CC1)(OCCC)OCCC.
What is the InChIKey of 4-(3-tripropoxysilylpropyl)cyclohexan-1-one?
The InChIKey is SCZJPHXFNQSOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-4-13-20-23(21-14-5-2,22-15-6-3)16-7-8-17-9-11-18(19)12-10-17/h17H,4-16H2,1-3H3.
What are the key properties of 4-(3-tripropoxysilylpropyl)cyclohexan-1-one?
4-(3-tripropoxysilylpropyl)cyclohexan-1-one has a molecular weight of 344.57 g/mol, XLogP of 4.74, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tripropoxysilylpropyl)cyclohexan-1-one is sourced from PubChem (CID 141200065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).