sulfane;bis(trioctoxy(propyl)silane)

C54H124O6S4Si2 — CID 23217623

IUPACsulfane;bis(trioctoxy(propyl)silane)
SMILESCCCCCCCCO[Si](CCC)(OCCCCCCCC)OCCCCCCCC.CCCCCCCCO[Si](CCC)(OCCCCCCCC)OCCCCCCCC.S.S.S.S
InChIInChI=1S/2C27H58O3Si.4H2S/c2*1-5-9-12-15-18-21-24-28-31(27-8-4,29-25-22-19-16-13-10-6-2)30-26-23-20-17-14-11-7-3;;;;/h2*5-27H2,1-4H3;4*1H2
InChIKeyWTDKPLIYPAGLDP-UHFFFAOYSA-N
MW1054.02 g/mol
LogP19.38
Rot. Bonds52

About sulfane;bis(trioctoxy(propyl)silane)

sulfane;bis(trioctoxy(propyl)silane) (PubChem CID 23217623) has the molecular formula C54H124O6S4Si2 and a molecular weight of 1054.02 g/mol. Its IUPAC name is sulfane;bis(trioctoxy(propyl)silane).

Molecular Properties

Compound Namesulfane;bis(trioctoxy(propyl)silane)
PubChem CID23217623
Molecular FormulaC54H124O6S4Si2
Molecular Weight1054.02 g/mol
Exact Mass1052.78
IUPAC Namesulfane;bis(trioctoxy(propyl)silane)
SMILESCCCCCCCCO[Si](CCC)(OCCCCCCCC)OCCCCCCCC.CCCCCCCCO[Si](CCC)(OCCCCCCCC)OCCCCCCCC.S.S.S.S
InChIInChI=1S/2C27H58O3Si.4H2S/c2*1-5-9-12-15-18-21-24-28-31(27-8-4,29-25-22-19-16-13-10-6-2)30-26-23-20-17-14-11-7-3;;;;/h2*5-27H2,1-4H3;4*1H2
InChIKeyWTDKPLIYPAGLDP-UHFFFAOYSA-N
XLogP19.38
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds52
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001054.02
LogP ≤ 519.38
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

3-trihexadecoxysilylpropan-1-amine
CID 87405617
6-tripentoxysilylhexan-1-amine
CID 152508476
3-trihexoxysilylpropane-1-thiol
CID 88832868
trihexoxy(3-propoxypropyl)silane
CID 90222571
hexadecyl(tripropoxy)silane
CID 22228651
heptadecoxy(tripropyl)silane
CID 632797
icosyl(tripropoxy)silane
CID 141079291
tris[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]-[2-[tris[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]silyl]ethyl]silane
CID 86007695
4-tridodecoxysilylbutane-2-thiol
CID 22227191
1-[didodecoxy(propyl)silyl]oxy-2-methyltetradecane-3-thiol
CID 87685285
nonyl tripentyl silicate
CID 141280747
triheptyl pentyl silicate
CID 141280740

Frequently Asked Questions

What is the IUPAC name of sulfane;bis(trioctoxy(propyl)silane)?
The IUPAC name of sulfane;bis(trioctoxy(propyl)silane) (CID 23217623) is sulfane;bis(trioctoxy(propyl)silane).
What is the SMILES notation for sulfane;bis(trioctoxy(propyl)silane)?
The canonical SMILES for sulfane;bis(trioctoxy(propyl)silane) is CCCCCCCCO[Si](CCC)(OCCCCCCCC)OCCCCCCCC.CCCCCCCCO[Si](CCC)(OCCCCCCCC)OCCCCCCCC.S.S.S.S.
What is the InChIKey of sulfane;bis(trioctoxy(propyl)silane)?
The InChIKey is WTDKPLIYPAGLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H58O3Si.4H2S/c2*1-5-9-12-15-18-21-24-28-31(27-8-4,29-25-22-19-16-13-10-6-2)30-26-23-20-17-14-11-7-3;;;;/h2*5-27H2,1-4H3;4*1H2.
What are the key properties of sulfane;bis(trioctoxy(propyl)silane)?
sulfane;bis(trioctoxy(propyl)silane) has a molecular weight of 1054.02 g/mol, XLogP of 19.38, 52 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sulfane;bis(trioctoxy(propyl)silane) is sourced from PubChem (CID 23217623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).