ethyl 2-trimethoxysilylpentanedithioate

C10H22O3S2Si — CID 141147269

IUPACethyl 2-trimethoxysilylpentanedithioate
SMILESCCCC(C(=S)SCC)[Si](OC)(OC)OC
InChIInChI=1S/C10H22O3S2Si/c1-6-8-9(10(14)15-7-2)16(11-3,12-4)13-5/h9H,6-8H2,1-5H3
InChIKeyKAGIFUNNPIHCRX-UHFFFAOYSA-N
MW282.50 g/mol
LogP3.12
Rot. Bonds8

About ethyl 2-trimethoxysilylpentanedithioate

ethyl 2-trimethoxysilylpentanedithioate (PubChem CID 141147269) has the molecular formula C10H22O3S2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is ethyl 2-trimethoxysilylpentanedithioate.

Molecular Properties

Compound Nameethyl 2-trimethoxysilylpentanedithioate
PubChem CID141147269
Molecular FormulaC10H22O3S2Si
Molecular Weight282.50 g/mol
Exact Mass282.08
IUPAC Nameethyl 2-trimethoxysilylpentanedithioate
SMILESCCCC(C(=S)SCC)[Si](OC)(OC)OC
InChIInChI=1S/C10H22O3S2Si/c1-6-8-9(10(14)15-7-2)16(11-3,12-4)13-5/h9H,6-8H2,1-5H3
InChIKeyKAGIFUNNPIHCRX-UHFFFAOYSA-N
XLogP3.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-trimethoxysilylhexanoate
CID 141147358
4-methyl-N-(1-trimethoxysilylbutyl)pentan-2-imine
CID 173017912
methyl 2-trimethoxysilylbutanoate
CID 141147304
O-methyl 2-(methylamino)pentanethioate
CID 166719914
but-1-enoxy-heptan-4-yl-dimethoxysilane
CID 174803107
ethyl N-(1-diethoxyphosphorylbutyl)-N-methylcarbamodithioate
CID 44890358
O-[di(propan-2-yl)amino] ethylsulfanylmethanethioate
CID 175159823
hydroxy-dimethyl-(1-trimethoxysilylpropyl)silane
CID 173175510
1-azidobutyl(trimethoxy)silane
CID 152514280
4-(1-trimethoxysilylpropylamino)heptan-3-ol
CID 87194972
S-ethyl 2-methylpentanethioate
CID 13181359
ethoxyethane;1-trimethoxysilylbutyl prop-2-enoate
CID 174844646

Frequently Asked Questions

What is the IUPAC name of ethyl 2-trimethoxysilylpentanedithioate?
The IUPAC name of ethyl 2-trimethoxysilylpentanedithioate (CID 141147269) is ethyl 2-trimethoxysilylpentanedithioate.
What is the SMILES notation for ethyl 2-trimethoxysilylpentanedithioate?
The canonical SMILES for ethyl 2-trimethoxysilylpentanedithioate is CCCC(C(=S)SCC)[Si](OC)(OC)OC.
What is the InChIKey of ethyl 2-trimethoxysilylpentanedithioate?
The InChIKey is KAGIFUNNPIHCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3S2Si/c1-6-8-9(10(14)15-7-2)16(11-3,12-4)13-5/h9H,6-8H2,1-5H3.
What are the key properties of ethyl 2-trimethoxysilylpentanedithioate?
ethyl 2-trimethoxysilylpentanedithioate has a molecular weight of 282.50 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-trimethoxysilylpentanedithioate is sourced from PubChem (CID 141147269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).