3-cyclohexylsulfanylpropyl-ethoxy-dimethylsilane

C13H28OSSi — CID 59365619

IUPAC3-cyclohexylsulfanylpropyl-ethoxy-dimethylsilane
SMILESCCO[Si](C)(C)CCCSC1CCCCC1
InChIInChI=1S/C13H28OSSi/c1-4-14-16(2,3)12-8-11-15-13-9-6-5-7-10-13/h13H,4-12H2,1-3H3
InChIKeyXGXYZBHTZGCBPY-UHFFFAOYSA-N
MW260.52 g/mol
LogP4.68
Rot. Bonds7

About 3-cyclohexylsulfanylpropyl-ethoxy-dimethylsilane

3-cyclohexylsulfanylpropyl-ethoxy-dimethylsilane (PubChem CID 59365619) has the molecular formula C13H28OSSi and a molecular weight of 260.52 g/mol. Its IUPAC name is 3-cyclohexylsulfanylpropyl-ethoxy-dimethylsilane.

Molecular Properties

Compound Name3-cyclohexylsulfanylpropyl-ethoxy-dimethylsilane
PubChem CID59365619
Molecular FormulaC13H28OSSi
Molecular Weight260.52 g/mol
Exact Mass260.16
IUPAC Name3-cyclohexylsulfanylpropyl-ethoxy-dimethylsilane
SMILESCCO[Si](C)(C)CCCSC1CCCCC1
InChIInChI=1S/C13H28OSSi/c1-4-14-16(2,3)12-8-11-15-13-9-6-5-7-10-13/h13H,4-12H2,1-3H3
InChIKeyXGXYZBHTZGCBPY-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.52
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butylsulfanylcycloheptane
CID 14970942
octylsulfanylcycloheptane
CID 70441156
octadecylsulfanylcyclohexane
CID 19905552
nonylsulfanylcyclohexane
CID 14783593
ethoxy-[18-[ethoxy(dimethyl)silyl]octadecyl]-dimethylsilane
CID 153321945
ethoxy-[5-[ethoxy(dimethyl)silyl]pentyl]-dimethylsilane
CID 153321939
hexylsulfanylcyclopentane
CID 534970
propylsulfanylcyclopentane
CID 534899
6-cyclohexylsulfanylhexan-2-amine
CID 64633438
ethylsulfanylcycloheptane
CID 67666697
N-(2-cyclopentylsulfanylethyl)-3-ethoxypropan-1-amine
CID 63115842
4,4-bis(3-cyclohexylsulfanylpropyl)decylsulfanylcyclohexane
CID 167565445

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfanylpropyl-ethoxy-dimethylsilane?
The IUPAC name of 3-cyclohexylsulfanylpropyl-ethoxy-dimethylsilane (CID 59365619) is 3-cyclohexylsulfanylpropyl-ethoxy-dimethylsilane.
What is the SMILES notation for 3-cyclohexylsulfanylpropyl-ethoxy-dimethylsilane?
The canonical SMILES for 3-cyclohexylsulfanylpropyl-ethoxy-dimethylsilane is CCO[Si](C)(C)CCCSC1CCCCC1.
What is the InChIKey of 3-cyclohexylsulfanylpropyl-ethoxy-dimethylsilane?
The InChIKey is XGXYZBHTZGCBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28OSSi/c1-4-14-16(2,3)12-8-11-15-13-9-6-5-7-10-13/h13H,4-12H2,1-3H3.
What are the key properties of 3-cyclohexylsulfanylpropyl-ethoxy-dimethylsilane?
3-cyclohexylsulfanylpropyl-ethoxy-dimethylsilane has a molecular weight of 260.52 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfanylpropyl-ethoxy-dimethylsilane is sourced from PubChem (CID 59365619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).