cyclohexyl 3-(3-trimethoxysilylpropylsulfanyl)propanoate

C15H30O5SSi — CID 59305917

IUPACcyclohexyl 3-(3-trimethoxysilylpropylsulfanyl)propanoate
SMILESCO[Si](CCCSCCC(=O)OC1CCCCC1)(OC)OC
InChIInChI=1S/C15H30O5SSi/c1-17-22(18-2,19-3)13-7-11-21-12-10-15(16)20-14-8-5-4-6-9-14/h14H,4-13H2,1-3H3
InChIKeyZNCFOBQKYSXKMF-UHFFFAOYSA-N
MW350.55 g/mol
LogP3.25
Rot. Bonds11

About cyclohexyl 3-(3-trimethoxysilylpropylsulfanyl)propanoate

cyclohexyl 3-(3-trimethoxysilylpropylsulfanyl)propanoate (PubChem CID 59305917) has the molecular formula C15H30O5SSi and a molecular weight of 350.55 g/mol. Its IUPAC name is cyclohexyl 3-(3-trimethoxysilylpropylsulfanyl)propanoate.

Molecular Properties

Compound Namecyclohexyl 3-(3-trimethoxysilylpropylsulfanyl)propanoate
PubChem CID59305917
Molecular FormulaC15H30O5SSi
Molecular Weight350.55 g/mol
Exact Mass350.16
IUPAC Namecyclohexyl 3-(3-trimethoxysilylpropylsulfanyl)propanoate
SMILESCO[Si](CCCSCCC(=O)OC1CCCCC1)(OC)OC
InChIInChI=1S/C15H30O5SSi/c1-17-22(18-2,19-3)13-7-11-21-12-10-15(16)20-14-8-5-4-6-9-14/h14H,4-13H2,1-3H3
InChIKeyZNCFOBQKYSXKMF-UHFFFAOYSA-N
XLogP3.25
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

dicyclohexyl pentanedioate
CID 15593941
1-[3,5-bis[3-(3-trimethoxysilylpropylsulfanyl)propanoyl]-1,3,5-triazinan-1-yl]-3-(3-trimethoxysilylpropylsulfanyl)propan-1-one
CID 102278883
cyclooctyl 7-aminoheptanoate
CID 21259475
copper;cyclohexyl butanoate
CID 67654151
cyclohexyl 2-[(2-cyclohexyloxy-2-oxoethyl)disulfanyl]acetate
CID 154117356
methyl 3-[2-(cyclohexylamino)ethylsulfanyl]propanoate
CID 115653965
magnesium;cyclohexyl butanoate;hydride
CID 174620917
potassium;cyclohexyl butanoate;hydride
CID 174359508
cyclopentadecyl 8-bromooctanoate
CID 171623648
6-cyclohexyloxy-6-oxohexanoic acid
CID 175099277
strontium;cyclohexyl butanoate;hydride
CID 173148532
cyclohexyl 2-tert-butylsulfanylacetate
CID 78840380

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 3-(3-trimethoxysilylpropylsulfanyl)propanoate?
The IUPAC name of cyclohexyl 3-(3-trimethoxysilylpropylsulfanyl)propanoate (CID 59305917) is cyclohexyl 3-(3-trimethoxysilylpropylsulfanyl)propanoate.
What is the SMILES notation for cyclohexyl 3-(3-trimethoxysilylpropylsulfanyl)propanoate?
The canonical SMILES for cyclohexyl 3-(3-trimethoxysilylpropylsulfanyl)propanoate is CO[Si](CCCSCCC(=O)OC1CCCCC1)(OC)OC.
What is the InChIKey of cyclohexyl 3-(3-trimethoxysilylpropylsulfanyl)propanoate?
The InChIKey is ZNCFOBQKYSXKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O5SSi/c1-17-22(18-2,19-3)13-7-11-21-12-10-15(16)20-14-8-5-4-6-9-14/h14H,4-13H2,1-3H3.
What are the key properties of cyclohexyl 3-(3-trimethoxysilylpropylsulfanyl)propanoate?
cyclohexyl 3-(3-trimethoxysilylpropylsulfanyl)propanoate has a molecular weight of 350.55 g/mol, XLogP of 3.25, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 3-(3-trimethoxysilylpropylsulfanyl)propanoate is sourced from PubChem (CID 59305917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).