2-(1,7-dithiaspiro[5.5]undecan-4-yloxymethoxy)ethyl-trimethylsilane

C15H30O2S2Si — CID 10314863

IUPAC2-(1,7-dithiaspiro[5.5]undecan-4-yloxymethoxy)ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCOC1CCSC2(CCCCS2)C1
InChIInChI=1S/C15H30O2S2Si/c1-20(2,3)11-8-16-13-17-14-6-10-19-15(12-14)7-4-5-9-18-15/h14H,4-13H2,1-3H3
InChIKeyONUYTQGHDNIYIT-UHFFFAOYSA-N
MW334.62 g/mol
LogP4.82
Rot. Bonds6

About 2-(1,7-dithiaspiro[5.5]undecan-4-yloxymethoxy)ethyl-trimethylsilane

2-(1,7-dithiaspiro[5.5]undecan-4-yloxymethoxy)ethyl-trimethylsilane (PubChem CID 10314863) has the molecular formula C15H30O2S2Si and a molecular weight of 334.62 g/mol. Its IUPAC name is 2-(1,7-dithiaspiro[5.5]undecan-4-yloxymethoxy)ethyl-trimethylsilane.

Molecular Properties

Compound Name2-(1,7-dithiaspiro[5.5]undecan-4-yloxymethoxy)ethyl-trimethylsilane
PubChem CID10314863
Molecular FormulaC15H30O2S2Si
Molecular Weight334.62 g/mol
Exact Mass334.15
IUPAC Name2-(1,7-dithiaspiro[5.5]undecan-4-yloxymethoxy)ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCOC1CCSC2(CCCCS2)C1
InChIInChI=1S/C15H30O2S2Si/c1-20(2,3)11-8-16-13-17-14-6-10-19-15(12-14)7-4-5-9-18-15/h14H,4-13H2,1-3H3
InChIKeyONUYTQGHDNIYIT-UHFFFAOYSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.62
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,7-dithiaspiro[5.5]undecan-4-yloxymethoxy)ethyl-trimethylsilane?
The IUPAC name of 2-(1,7-dithiaspiro[5.5]undecan-4-yloxymethoxy)ethyl-trimethylsilane (CID 10314863) is 2-(1,7-dithiaspiro[5.5]undecan-4-yloxymethoxy)ethyl-trimethylsilane.
What is the SMILES notation for 2-(1,7-dithiaspiro[5.5]undecan-4-yloxymethoxy)ethyl-trimethylsilane?
The canonical SMILES for 2-(1,7-dithiaspiro[5.5]undecan-4-yloxymethoxy)ethyl-trimethylsilane is C[Si](C)(C)CCOCOC1CCSC2(CCCCS2)C1.
What is the InChIKey of 2-(1,7-dithiaspiro[5.5]undecan-4-yloxymethoxy)ethyl-trimethylsilane?
The InChIKey is ONUYTQGHDNIYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2S2Si/c1-20(2,3)11-8-16-13-17-14-6-10-19-15(12-14)7-4-5-9-18-15/h14H,4-13H2,1-3H3.
What are the key properties of 2-(1,7-dithiaspiro[5.5]undecan-4-yloxymethoxy)ethyl-trimethylsilane?
2-(1,7-dithiaspiro[5.5]undecan-4-yloxymethoxy)ethyl-trimethylsilane has a molecular weight of 334.62 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,7-dithiaspiro[5.5]undecan-4-yloxymethoxy)ethyl-trimethylsilane is sourced from PubChem (CID 10314863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).