3-(1,4-diethoxybutoxytetrasulfanyl)propylsilane

C11H26O3S4Si — CID 123947780

IUPAC3-(1,4-diethoxybutoxytetrasulfanyl)propylsilane
SMILESCCOCCCC(OCC)OSSSSCCC[SiH3]
InChIInChI=1S/C11H26O3S4Si/c1-3-12-8-5-7-11(13-4-2)14-16-18-17-15-9-6-10-19/h11H,3-10H2,1-2,19H3
InChIKeyLWBMFHJCDTYOMB-UHFFFAOYSA-N
MW362.68 g/mol
LogP3.95
Rot. Bonds15

About 3-(1,4-diethoxybutoxytetrasulfanyl)propylsilane

3-(1,4-diethoxybutoxytetrasulfanyl)propylsilane (PubChem CID 123947780) has the molecular formula C11H26O3S4Si and a molecular weight of 362.68 g/mol. Its IUPAC name is 3-(1,4-diethoxybutoxytetrasulfanyl)propylsilane.

Molecular Properties

Compound Name3-(1,4-diethoxybutoxytetrasulfanyl)propylsilane
PubChem CID123947780
Molecular FormulaC11H26O3S4Si
Molecular Weight362.68 g/mol
Exact Mass362.05
IUPAC Name3-(1,4-diethoxybutoxytetrasulfanyl)propylsilane
SMILESCCOCCCC(OCC)OSSSSCCC[SiH3]
InChIInChI=1S/C11H26O3S4Si/c1-3-12-8-5-7-11(13-4-2)14-16-18-17-15-9-6-10-19/h11H,3-10H2,1-2,19H3
InChIKeyLWBMFHJCDTYOMB-UHFFFAOYSA-N
XLogP3.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.68
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(ethoxyhexasulfanyl)propylsilane
CID 152604820
CID 155760558
CID 155760558
1,4-diethoxydecane
CID 140997951
4-bromo-1,1-diethoxybutane
CID 568500
1,6-diethoxydecane
CID 150917298
4-bromo-1-(2-ethoxyethoxy)pentane
CID 54122384
2-(4,4-diethoxybutoxymethyl)oxirane
CID 87292849
ethoxymethyl-[3-[3-(ethoxymethylsilyl)propyltrisulfanyl]propyl]silane
CID 158118116
[5-[(5-dimethylsilyl-5-ethoxypentyl)trisulfanyl]-1-ethoxypentyl]-dimethylsilane
CID 159624155
1-chloro-14-ethoxytetradecane
CID 173330502
(1-ethoxy-5-ethylheptan-4-yl)hydrazine
CID 105324048
1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane
CID 161271742

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-diethoxybutoxytetrasulfanyl)propylsilane?
The IUPAC name of 3-(1,4-diethoxybutoxytetrasulfanyl)propylsilane (CID 123947780) is 3-(1,4-diethoxybutoxytetrasulfanyl)propylsilane.
What is the SMILES notation for 3-(1,4-diethoxybutoxytetrasulfanyl)propylsilane?
The canonical SMILES for 3-(1,4-diethoxybutoxytetrasulfanyl)propylsilane is CCOCCCC(OCC)OSSSSCCC[SiH3].
What is the InChIKey of 3-(1,4-diethoxybutoxytetrasulfanyl)propylsilane?
The InChIKey is LWBMFHJCDTYOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O3S4Si/c1-3-12-8-5-7-11(13-4-2)14-16-18-17-15-9-6-10-19/h11H,3-10H2,1-2,19H3.
What are the key properties of 3-(1,4-diethoxybutoxytetrasulfanyl)propylsilane?
3-(1,4-diethoxybutoxytetrasulfanyl)propylsilane has a molecular weight of 362.68 g/mol, XLogP of 3.95, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-diethoxybutoxytetrasulfanyl)propylsilane is sourced from PubChem (CID 123947780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).