didodecoxy(3-ethoxysilylpropyl)sulfanium

C29H63O3SSi+ — CID 172824965

IUPACdidodecoxy(3-ethoxysilylpropyl)sulfanium
SMILESCCCCCCCCCCCCO[S+](CCC[SiH2]OCC)OCCCCCCCCCCCC
InChIInChI=1S/C29H63O3SSi/c1-4-7-9-11-13-15-17-19-21-23-26-30-33(28-25-29-34-32-6-3)31-27-24-22-20-18-16-14-12-10-8-5-2/h4-29,34H2,1-3H3/q+1
InChIKeyUSSWDCUBGJSFSD-UHFFFAOYSA-N
MW519.97 g/mol
LogP9.24
Rot. Bonds30

About didodecoxy(3-ethoxysilylpropyl)sulfanium

didodecoxy(3-ethoxysilylpropyl)sulfanium (PubChem CID 172824965) has the molecular formula C29H63O3SSi+ and a molecular weight of 519.97 g/mol. Its IUPAC name is didodecoxy(3-ethoxysilylpropyl)sulfanium.

Molecular Properties

Compound Namedidodecoxy(3-ethoxysilylpropyl)sulfanium
PubChem CID172824965
Molecular FormulaC29H63O3SSi+
Molecular Weight519.97 g/mol
Exact Mass519.43
IUPAC Namedidodecoxy(3-ethoxysilylpropyl)sulfanium
SMILESCCCCCCCCCCCCO[S+](CCC[SiH2]OCC)OCCCCCCCCCCCC
InChIInChI=1S/C29H63O3SSi/c1-4-7-9-11-13-15-17-19-21-23-26-30-33(28-25-29-34-32-6-3)31-27-24-22-20-18-16-14-12-10-8-5-2/h4-29,34H2,1-3H3/q+1
InChIKeyUSSWDCUBGJSFSD-UHFFFAOYSA-N
XLogP9.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds30
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.97
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

didodecyl(3-ethoxysilylpropyl)sulfanium
CID 172705236
ethoxy(hexyl)silane;hydrofluoride
CID 174883569
ethoxy(2-methylnonadecan-2-yl)silane
CID 173228769
butyl(2-ethoxyethoxy)silane
CID 174932495
dioctadecoxysilane
CID 175166097
octyl(octylsilyloxy)silane
CID 151438773
tridecoxy-[2-(2-tridecoxysilylethyltetrasulfanyl)ethyl]silane
CID 159645445
ethoxy(4-methylpentyl)silane
CID 172827034
decane;ruthenium
CID 160818595
tris(3-pentoxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane
CID 123911461
dodecylmercury;hydrate
CID 78070234
1-octylperoxynonane
CID 151564626

Frequently Asked Questions

What is the IUPAC name of didodecoxy(3-ethoxysilylpropyl)sulfanium?
The IUPAC name of didodecoxy(3-ethoxysilylpropyl)sulfanium (CID 172824965) is didodecoxy(3-ethoxysilylpropyl)sulfanium.
What is the SMILES notation for didodecoxy(3-ethoxysilylpropyl)sulfanium?
The canonical SMILES for didodecoxy(3-ethoxysilylpropyl)sulfanium is CCCCCCCCCCCCO[S+](CCC[SiH2]OCC)OCCCCCCCCCCCC.
What is the InChIKey of didodecoxy(3-ethoxysilylpropyl)sulfanium?
The InChIKey is USSWDCUBGJSFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H63O3SSi/c1-4-7-9-11-13-15-17-19-21-23-26-30-33(28-25-29-34-32-6-3)31-27-24-22-20-18-16-14-12-10-8-5-2/h4-29,34H2,1-3H3/q+1.
What are the key properties of didodecoxy(3-ethoxysilylpropyl)sulfanium?
didodecoxy(3-ethoxysilylpropyl)sulfanium has a molecular weight of 519.97 g/mol, XLogP of 9.24, 30 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for didodecoxy(3-ethoxysilylpropyl)sulfanium is sourced from PubChem (CID 172824965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).