1-[bis[2-(dimethylamino)ethoxy]-ethylsilyl]decane-3-thiol

C20H46N2O2SSi — CID 158943324

IUPAC1-[bis[2-(dimethylamino)ethoxy]-ethylsilyl]decane-3-thiol
SMILESCCCCCCCC(S)CC[Si](CC)(OCCN(C)C)OCCN(C)C
InChIInChI=1S/C20H46N2O2SSi/c1-7-9-10-11-12-13-20(25)14-19-26(8-2,23-17-15-21(3)4)24-18-16-22(5)6/h20,25H,7-19H2,1-6H3
InChIKeyJKNDIBUGSFOTMP-UHFFFAOYSA-N
MW406.75 g/mol
LogP4.65
Rot. Bonds18

About 1-[bis[2-(dimethylamino)ethoxy]-ethylsilyl]decane-3-thiol

1-[bis[2-(dimethylamino)ethoxy]-ethylsilyl]decane-3-thiol (PubChem CID 158943324) has the molecular formula C20H46N2O2SSi and a molecular weight of 406.75 g/mol. Its IUPAC name is 1-[bis[2-(dimethylamino)ethoxy]-ethylsilyl]decane-3-thiol.

Molecular Properties

Compound Name1-[bis[2-(dimethylamino)ethoxy]-ethylsilyl]decane-3-thiol
PubChem CID158943324
Molecular FormulaC20H46N2O2SSi
Molecular Weight406.75 g/mol
Exact Mass406.30
IUPAC Name1-[bis[2-(dimethylamino)ethoxy]-ethylsilyl]decane-3-thiol
SMILESCCCCCCCC(S)CC[Si](CC)(OCCN(C)C)OCCN(C)C
InChIInChI=1S/C20H46N2O2SSi/c1-7-9-10-11-12-13-20(25)14-19-26(8-2,23-17-15-21(3)4)24-18-16-22(5)6/h20,25H,7-19H2,1-6H3
InChIKeyJKNDIBUGSFOTMP-UHFFFAOYSA-N
XLogP4.65
TPSA24.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.75
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[bis[2-(dimethylamino)ethoxy]-octadecoxysilyl]decane-3-thiol
CID 158997670
dodecane-6-thiol
CID 18757094
ethyl-hexadecyl-dipropoxysilane
CID 22228686
tetratriacontane-1,17-dithiol
CID 57207387
2-[dibutyl(ethyl)silyl]oxy-N,N-dimethylethanamine
CID 101424990
diethyl-pentadecoxy-tetradecoxysilane
CID 91745841
dodecoxy-diethyl-octoxysilane
CID 91744145
decoxy-diethyl-nonoxysilane
CID 91743782
diethyl-pentadecoxy-tridecoxysilane
CID 91745757
diethyl-hexoxy-undecoxysilane
CID 91742902
diethyl-nonoxy-pentoxysilane
CID 91741088
diethyl-pentoxy-undecoxysilane
CID 91742318

Frequently Asked Questions

What is the IUPAC name of 1-[bis[2-(dimethylamino)ethoxy]-ethylsilyl]decane-3-thiol?
The IUPAC name of 1-[bis[2-(dimethylamino)ethoxy]-ethylsilyl]decane-3-thiol (CID 158943324) is 1-[bis[2-(dimethylamino)ethoxy]-ethylsilyl]decane-3-thiol.
What is the SMILES notation for 1-[bis[2-(dimethylamino)ethoxy]-ethylsilyl]decane-3-thiol?
The canonical SMILES for 1-[bis[2-(dimethylamino)ethoxy]-ethylsilyl]decane-3-thiol is CCCCCCCC(S)CC[Si](CC)(OCCN(C)C)OCCN(C)C.
What is the InChIKey of 1-[bis[2-(dimethylamino)ethoxy]-ethylsilyl]decane-3-thiol?
The InChIKey is JKNDIBUGSFOTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46N2O2SSi/c1-7-9-10-11-12-13-20(25)14-19-26(8-2,23-17-15-21(3)4)24-18-16-22(5)6/h20,25H,7-19H2,1-6H3.
What are the key properties of 1-[bis[2-(dimethylamino)ethoxy]-ethylsilyl]decane-3-thiol?
1-[bis[2-(dimethylamino)ethoxy]-ethylsilyl]decane-3-thiol has a molecular weight of 406.75 g/mol, XLogP of 4.65, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis[2-(dimethylamino)ethoxy]-ethylsilyl]decane-3-thiol is sourced from PubChem (CID 158943324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).