7-(1,4-dioxaspiro[4.5]decan-7-ylsulfanylmethylsulfanyl)-1,4-dioxaspiro[4.5]decane

C17H28O4S2 — CID 15476505

IUPAC7-(1,4-dioxaspiro[4.5]decan-7-ylsulfanylmethylsulfanyl)-1,4-dioxaspiro[4.5]decane
SMILESC1CC(SCSC2CCCC3(C2)OCCO3)CC2(C1)OCCO2
InChIInChI=1S/C17H28O4S2/c1-3-14(11-16(5-1)18-7-8-19-16)22-13-23-15-4-2-6-17(12-15)20-9-10-21-17/h14-15H,1-13H2
InChIKeyCFVAXKUAMCWFKH-UHFFFAOYSA-N
MW360.54 g/mol
LogP3.78
Rot. Bonds4

About 7-(1,4-dioxaspiro[4.5]decan-7-ylsulfanylmethylsulfanyl)-1,4-dioxaspiro[4.5]decane

7-(1,4-dioxaspiro[4.5]decan-7-ylsulfanylmethylsulfanyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 15476505) has the molecular formula C17H28O4S2 and a molecular weight of 360.54 g/mol. Its IUPAC name is 7-(1,4-dioxaspiro[4.5]decan-7-ylsulfanylmethylsulfanyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name7-(1,4-dioxaspiro[4.5]decan-7-ylsulfanylmethylsulfanyl)-1,4-dioxaspiro[4.5]decane
PubChem CID15476505
Molecular FormulaC17H28O4S2
Molecular Weight360.54 g/mol
Exact Mass360.14
IUPAC Name7-(1,4-dioxaspiro[4.5]decan-7-ylsulfanylmethylsulfanyl)-1,4-dioxaspiro[4.5]decane
SMILESC1CC(SCSC2CCCC3(C2)OCCO3)CC2(C1)OCCO2
InChIInChI=1S/C17H28O4S2/c1-3-14(11-16(5-1)18-7-8-19-16)22-13-23-15-4-2-6-17(12-15)20-9-10-21-17/h14-15H,1-13H2
InChIKeyCFVAXKUAMCWFKH-UHFFFAOYSA-N
XLogP3.78
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(1,4-dioxaspiro[4.5]decan-7-ylsulfanylmethylsulfanyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 7-(1,4-dioxaspiro[4.5]decan-7-ylsulfanylmethylsulfanyl)-1,4-dioxaspiro[4.5]decane (CID 15476505) is 7-(1,4-dioxaspiro[4.5]decan-7-ylsulfanylmethylsulfanyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 7-(1,4-dioxaspiro[4.5]decan-7-ylsulfanylmethylsulfanyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 7-(1,4-dioxaspiro[4.5]decan-7-ylsulfanylmethylsulfanyl)-1,4-dioxaspiro[4.5]decane is C1CC(SCSC2CCCC3(C2)OCCO3)CC2(C1)OCCO2.
What is the InChIKey of 7-(1,4-dioxaspiro[4.5]decan-7-ylsulfanylmethylsulfanyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is CFVAXKUAMCWFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4S2/c1-3-14(11-16(5-1)18-7-8-19-16)22-13-23-15-4-2-6-17(12-15)20-9-10-21-17/h14-15H,1-13H2.
What are the key properties of 7-(1,4-dioxaspiro[4.5]decan-7-ylsulfanylmethylsulfanyl)-1,4-dioxaspiro[4.5]decane?
7-(1,4-dioxaspiro[4.5]decan-7-ylsulfanylmethylsulfanyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 360.54 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,4-dioxaspiro[4.5]decan-7-ylsulfanylmethylsulfanyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 15476505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).