bis(2-(3-methanidyloxypropyl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);rutherfordium

C16H46O10RfSi8-2 — CID 59622479

IUPACbis(2-(3-methanidyloxypropyl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);rutherfordium
SMILES[CH2-]OCCC[Si]1(C)O[SiH](C)O[SiH](C)O[SiH](C)O1.[CH2-]OCCC[Si]1(C)O[SiH](C)O[SiH](C)O[SiH](C)O1.[Rf]
InChIInChI=1S/2C8H23O5Si4.Rf/c2*1-9-7-6-8-17(5)12-15(3)10-14(2)11-16(4)13-17;/h2*14-16H,1,6-8H2,2-5H3;/q2*-1;
InChIKeyGZIGDKXSNCQURF-UHFFFAOYSA-N
MW890.22 g/mol
LogP1.78
Rot. Bonds8

About bis(2-(3-methanidyloxypropyl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);rutherfordium

bis(2-(3-methanidyloxypropyl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);rutherfordium (PubChem CID 59622479) has the molecular formula C16H46O10RfSi8-2 and a molecular weight of 890.22 g/mol. Its IUPAC name is bis(2-(3-methanidyloxypropyl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);rutherfordium.

Molecular Properties

Compound Namebis(2-(3-methanidyloxypropyl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);rutherfordium
PubChem CID59622479
Molecular FormulaC16H46O10RfSi8-2
Molecular Weight890.22 g/mol
Exact Mass889.25
IUPAC Namebis(2-(3-methanidyloxypropyl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);rutherfordium
SMILES[CH2-]OCCC[Si]1(C)O[SiH](C)O[SiH](C)O[SiH](C)O1.[CH2-]OCCC[Si]1(C)O[SiH](C)O[SiH](C)O[SiH](C)O1.[Rf]
InChIInChI=1S/2C8H23O5Si4.Rf/c2*1-9-7-6-8-17(5)12-15(3)10-14(2)11-16(4)13-17;/h2*14-16H,1,6-8H2,2-5H3;/q2*-1;
InChIKeyGZIGDKXSNCQURF-UHFFFAOYSA-N
XLogP1.78
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500890.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-(3-methanidyloxypropyl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);rutherfordium?
The IUPAC name of bis(2-(3-methanidyloxypropyl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);rutherfordium (CID 59622479) is bis(2-(3-methanidyloxypropyl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);rutherfordium.
What is the SMILES notation for bis(2-(3-methanidyloxypropyl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);rutherfordium?
The canonical SMILES for bis(2-(3-methanidyloxypropyl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);rutherfordium is [CH2-]OCCC[Si]1(C)O[SiH](C)O[SiH](C)O[SiH](C)O1.[CH2-]OCCC[Si]1(C)O[SiH](C)O[SiH](C)O[SiH](C)O1.[Rf].
What is the InChIKey of bis(2-(3-methanidyloxypropyl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);rutherfordium?
The InChIKey is GZIGDKXSNCQURF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H23O5Si4.Rf/c2*1-9-7-6-8-17(5)12-15(3)10-14(2)11-16(4)13-17;/h2*14-16H,1,6-8H2,2-5H3;/q2*-1;.
What are the key properties of bis(2-(3-methanidyloxypropyl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);rutherfordium?
bis(2-(3-methanidyloxypropyl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);rutherfordium has a molecular weight of 890.22 g/mol, XLogP of 1.78, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(3-methanidyloxypropyl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);rutherfordium is sourced from PubChem (CID 59622479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).