bis(3-[dimethoxy(methyl)silyl]propane-1-thiol);bis(dioxosilane);ethane;bis(ethyl-dimethoxy-methylsilane);tris(hydroxy(trimethoxy)silane)

C61H180O24S2Si9 — CID 161151056

IUPACbis(3-[dimethoxy(methyl)silyl]propane-1-thiol);bis(dioxosilane);ethane;bis(ethyl-dimethoxy-methylsilane);tris(hydroxy(trimethoxy)silane)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC[Si](C)(OC)OC.CC[Si](C)(OC)OC.CO[Si](C)(CCCS)OC.CO[Si](C)(CCCS)OC.CO[Si](O)(OC)OC.CO[Si](O)(OC)OC.CO[Si](O)(OC)OC.O=[Si]=O.O=[Si]=O
InChIInChI=1S/2C6H16O2SSi.2C5H14O2Si.3C3H10O4Si.15C2H6.2O2Si/c2*1-7-10(3,8-2)6-4-5-9;5*1-5-8(4,6-2)7-3;15*1-2;2*1-3-2/h2*9H,4-6H2,1-3H3;2*5H2,1-4H3;3*4H,1-3H3;15*1-2H3;;
InChIKeyUORLBNIVHYILBF-UHFFFAOYSA-N
MW1614.99 g/mol
LogP18.30
Rot. Bonds25

About bis(3-[dimethoxy(methyl)silyl]propane-1-thiol);bis(dioxosilane);ethane;bis(ethyl-dimethoxy-methylsilane);tris(hydroxy(trimethoxy)silane)

bis(3-[dimethoxy(methyl)silyl]propane-1-thiol);bis(dioxosilane);ethane;bis(ethyl-dimethoxy-methylsilane);tris(hydroxy(trimethoxy)silane) (PubChem CID 161151056) has the molecular formula C61H180O24S2Si9 and a molecular weight of 1614.99 g/mol. Its IUPAC name is bis(3-[dimethoxy(methyl)silyl]propane-1-thiol);bis(dioxosilane);ethane;bis(ethyl-dimethoxy-methylsilane);tris(hydroxy(trimethoxy)silane).

Molecular Properties

Compound Namebis(3-[dimethoxy(methyl)silyl]propane-1-thiol);bis(dioxosilane);ethane;bis(ethyl-dimethoxy-methylsilane);tris(hydroxy(trimethoxy)silane)
PubChem CID161151056
Molecular FormulaC61H180O24S2Si9
Molecular Weight1614.99 g/mol
Exact Mass1613.02
IUPAC Namebis(3-[dimethoxy(methyl)silyl]propane-1-thiol);bis(dioxosilane);ethane;bis(ethyl-dimethoxy-methylsilane);tris(hydroxy(trimethoxy)silane)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC[Si](C)(OC)OC.CC[Si](C)(OC)OC.CO[Si](C)(CCCS)OC.CO[Si](C)(CCCS)OC.CO[Si](O)(OC)OC.CO[Si](O)(OC)OC.CO[Si](O)(OC)OC.O=[Si]=O.O=[Si]=O
InChIInChI=1S/2C6H16O2SSi.2C5H14O2Si.3C3H10O4Si.15C2H6.2O2Si/c2*1-7-10(3,8-2)6-4-5-9;5*1-5-8(4,6-2)7-3;15*1-2;2*1-3-2/h2*9H,4-6H2,1-3H3;2*5H2,1-4H3;3*4H,1-3H3;15*1-2H3;;
InChIKeyUORLBNIVHYILBF-UHFFFAOYSA-N
XLogP18.30
TPSA285.88 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds25
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001614.99
LogP ≤ 518.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(3-[dimethoxy(methyl)silyl]propane-1-thiol);bis(dioxosilane);ethane;bis(ethyl-dimethoxy-methylsilane);tris(hydroxy(trimethoxy)silane)?
The IUPAC name of bis(3-[dimethoxy(methyl)silyl]propane-1-thiol);bis(dioxosilane);ethane;bis(ethyl-dimethoxy-methylsilane);tris(hydroxy(trimethoxy)silane) (CID 161151056) is bis(3-[dimethoxy(methyl)silyl]propane-1-thiol);bis(dioxosilane);ethane;bis(ethyl-dimethoxy-methylsilane);tris(hydroxy(trimethoxy)silane).
What is the SMILES notation for bis(3-[dimethoxy(methyl)silyl]propane-1-thiol);bis(dioxosilane);ethane;bis(ethyl-dimethoxy-methylsilane);tris(hydroxy(trimethoxy)silane)?
The canonical SMILES for bis(3-[dimethoxy(methyl)silyl]propane-1-thiol);bis(dioxosilane);ethane;bis(ethyl-dimethoxy-methylsilane);tris(hydroxy(trimethoxy)silane) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC[Si](C)(OC)OC.CC[Si](C)(OC)OC.CO[Si](C)(CCCS)OC.CO[Si](C)(CCCS)OC.CO[Si](O)(OC)OC.CO[Si](O)(OC)OC.CO[Si](O)(OC)OC.O=[Si]=O.O=[Si]=O.
What is the InChIKey of bis(3-[dimethoxy(methyl)silyl]propane-1-thiol);bis(dioxosilane);ethane;bis(ethyl-dimethoxy-methylsilane);tris(hydroxy(trimethoxy)silane)?
The InChIKey is UORLBNIVHYILBF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H16O2SSi.2C5H14O2Si.3C3H10O4Si.15C2H6.2O2Si/c2*1-7-10(3,8-2)6-4-5-9;5*1-5-8(4,6-2)7-3;15*1-2;2*1-3-2/h2*9H,4-6H2,1-3H3;2*5H2,1-4H3;3*4H,1-3H3;15*1-2H3;;.
What are the key properties of bis(3-[dimethoxy(methyl)silyl]propane-1-thiol);bis(dioxosilane);ethane;bis(ethyl-dimethoxy-methylsilane);tris(hydroxy(trimethoxy)silane)?
bis(3-[dimethoxy(methyl)silyl]propane-1-thiol);bis(dioxosilane);ethane;bis(ethyl-dimethoxy-methylsilane);tris(hydroxy(trimethoxy)silane) has a molecular weight of 1614.99 g/mol, XLogP of 18.30, 25 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-[dimethoxy(methyl)silyl]propane-1-thiol);bis(dioxosilane);ethane;bis(ethyl-dimethoxy-methylsilane);tris(hydroxy(trimethoxy)silane) is sourced from PubChem (CID 161151056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).