dichloro-[3-[3-[dichloro(methyl)silyl]propoxy-dimethylsilyl]oxypropyl]-methylsilane

C10H24Cl4O2Si3 — CID 642597

IUPACdichloro-[3-[3-[dichloro(methyl)silyl]propoxy-dimethylsilyl]oxypropyl]-methylsilane
SMILESC[Si](Cl)(Cl)CCCO[Si](C)(C)OCCC[Si](C)(Cl)Cl
InChIInChI=1S/C10H24Cl4O2Si3/c1-17(2,15-7-5-9-18(3,11)12)16-8-6-10-19(4,13)14/h5-10H2,1-4H3
InChIKeyJTNGRCODFITVJM-UHFFFAOYSA-N
MW402.37 g/mol
LogP5.60
Rot. Bonds10

About dichloro-[3-[3-[dichloro(methyl)silyl]propoxy-dimethylsilyl]oxypropyl]-methylsilane

dichloro-[3-[3-[dichloro(methyl)silyl]propoxy-dimethylsilyl]oxypropyl]-methylsilane (PubChem CID 642597) has the molecular formula C10H24Cl4O2Si3 and a molecular weight of 402.37 g/mol. Its IUPAC name is dichloro-[3-[3-[dichloro(methyl)silyl]propoxy-dimethylsilyl]oxypropyl]-methylsilane.

Molecular Properties

Compound Namedichloro-[3-[3-[dichloro(methyl)silyl]propoxy-dimethylsilyl]oxypropyl]-methylsilane
PubChem CID642597
Molecular FormulaC10H24Cl4O2Si3
Molecular Weight402.37 g/mol
Exact Mass399.98
IUPAC Namedichloro-[3-[3-[dichloro(methyl)silyl]propoxy-dimethylsilyl]oxypropyl]-methylsilane
SMILESC[Si](Cl)(Cl)CCCO[Si](C)(C)OCCC[Si](C)(Cl)Cl
InChIInChI=1S/C10H24Cl4O2Si3/c1-17(2,15-7-5-9-18(3,11)12)16-8-6-10-19(4,13)14/h5-10H2,1-4H3
InChIKeyJTNGRCODFITVJM-UHFFFAOYSA-N
XLogP5.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.37
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloro-[3-[3-[dichloro(methyl)silyl]propoxy-dimethylsilyl]oxypropyl]-methylsilane?
The IUPAC name of dichloro-[3-[3-[dichloro(methyl)silyl]propoxy-dimethylsilyl]oxypropyl]-methylsilane (CID 642597) is dichloro-[3-[3-[dichloro(methyl)silyl]propoxy-dimethylsilyl]oxypropyl]-methylsilane.
What is the SMILES notation for dichloro-[3-[3-[dichloro(methyl)silyl]propoxy-dimethylsilyl]oxypropyl]-methylsilane?
The canonical SMILES for dichloro-[3-[3-[dichloro(methyl)silyl]propoxy-dimethylsilyl]oxypropyl]-methylsilane is C[Si](Cl)(Cl)CCCO[Si](C)(C)OCCC[Si](C)(Cl)Cl.
What is the InChIKey of dichloro-[3-[3-[dichloro(methyl)silyl]propoxy-dimethylsilyl]oxypropyl]-methylsilane?
The InChIKey is JTNGRCODFITVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24Cl4O2Si3/c1-17(2,15-7-5-9-18(3,11)12)16-8-6-10-19(4,13)14/h5-10H2,1-4H3.
What are the key properties of dichloro-[3-[3-[dichloro(methyl)silyl]propoxy-dimethylsilyl]oxypropyl]-methylsilane?
dichloro-[3-[3-[dichloro(methyl)silyl]propoxy-dimethylsilyl]oxypropyl]-methylsilane has a molecular weight of 402.37 g/mol, XLogP of 5.60, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[3-[3-[dichloro(methyl)silyl]propoxy-dimethylsilyl]oxypropyl]-methylsilane is sourced from PubChem (CID 642597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).