4-diethoxysilylheptane-1-thiol

C11H26O2SSi — CID 173009934

IUPAC4-diethoxysilylheptane-1-thiol
SMILESCCCC(CCCS)[SiH](OCC)OCC
InChIInChI=1S/C11H26O2SSi/c1-4-8-11(9-7-10-14)15(12-5-2)13-6-3/h11,14-15H,4-10H2,1-3H3
InChIKeyQFKTVXRLXJHZOT-UHFFFAOYSA-N
MW250.48 g/mol
LogP3.16
Rot. Bonds10

About 4-diethoxysilylheptane-1-thiol

4-diethoxysilylheptane-1-thiol (PubChem CID 173009934) has the molecular formula C11H26O2SSi and a molecular weight of 250.48 g/mol. Its IUPAC name is 4-diethoxysilylheptane-1-thiol.

Molecular Properties

Compound Name4-diethoxysilylheptane-1-thiol
PubChem CID173009934
Molecular FormulaC11H26O2SSi
Molecular Weight250.48 g/mol
Exact Mass250.14
IUPAC Name4-diethoxysilylheptane-1-thiol
SMILESCCCC(CCCS)[SiH](OCC)OCC
InChIInChI=1S/C11H26O2SSi/c1-4-8-11(9-7-10-14)15(12-5-2)13-6-3/h11,14-15H,4-10H2,1-3H3
InChIKeyQFKTVXRLXJHZOT-UHFFFAOYSA-N
XLogP3.16
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-diethoxysilyloctan-1-amine
CID 173012099
5-diethoxysilylheptan-1-amine
CID 154490581
1-diethoxysilyl-N-ethylbutan-1-amine
CID 173031845
diethoxy(methyl)silane;ethanethiol
CID 174413164
5-propyloctane-1-thiol
CID 141457624
4-diethoxysilylhexyl(methyl)carbamic acid
CID 173191134
methyl N-(4-diethoxysilylhexyl)carbamate
CID 154100096
ethyl 5-sulfanyl-2-triethoxysilylpentanoate
CID 174845024
ethyl N-(5-diethoxysilylheptyl)carbamate
CID 154096304
butane-1,1,4-trithiol
CID 90930217
hexadecane;triethoxysilane
CID 164978259
4-aminopentane-1-thiol;ethane
CID 142392337

Frequently Asked Questions

What is the IUPAC name of 4-diethoxysilylheptane-1-thiol?
The IUPAC name of 4-diethoxysilylheptane-1-thiol (CID 173009934) is 4-diethoxysilylheptane-1-thiol.
What is the SMILES notation for 4-diethoxysilylheptane-1-thiol?
The canonical SMILES for 4-diethoxysilylheptane-1-thiol is CCCC(CCCS)[SiH](OCC)OCC.
What is the InChIKey of 4-diethoxysilylheptane-1-thiol?
The InChIKey is QFKTVXRLXJHZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O2SSi/c1-4-8-11(9-7-10-14)15(12-5-2)13-6-3/h11,14-15H,4-10H2,1-3H3.
What are the key properties of 4-diethoxysilylheptane-1-thiol?
4-diethoxysilylheptane-1-thiol has a molecular weight of 250.48 g/mol, XLogP of 3.16, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxysilylheptane-1-thiol is sourced from PubChem (CID 173009934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).