1,4-dioxaspiro[4.5]decan-8-ylmethyl thiohypoiodite

C9H15IO2S — CID 147605703

IUPAC1,4-dioxaspiro[4.5]decan-8-ylmethyl thiohypoiodite
SMILESISCC1CCC2(CC1)OCCO2
InChIInChI=1S/C9H15IO2S/c10-13-7-8-1-3-9(4-2-8)11-5-6-12-9/h8H,1-7H2
InChIKeyGBAFWKTWLYVMIQ-UHFFFAOYSA-N
MW314.19 g/mol
LogP3.00
Rot. Bonds2

About 1,4-dioxaspiro[4.5]decan-8-ylmethyl thiohypoiodite

1,4-dioxaspiro[4.5]decan-8-ylmethyl thiohypoiodite (PubChem CID 147605703) has the molecular formula C9H15IO2S and a molecular weight of 314.19 g/mol. Its IUPAC name is 1,4-dioxaspiro[4.5]decan-8-ylmethyl thiohypoiodite.

Molecular Properties

Compound Name1,4-dioxaspiro[4.5]decan-8-ylmethyl thiohypoiodite
PubChem CID147605703
Molecular FormulaC9H15IO2S
Molecular Weight314.19 g/mol
Exact Mass313.98
IUPAC Name1,4-dioxaspiro[4.5]decan-8-ylmethyl thiohypoiodite
SMILESISCC1CCC2(CC1)OCCO2
InChIInChI=1S/C9H15IO2S/c10-13-7-8-1-3-9(4-2-8)11-5-6-12-9/h8H,1-7H2
InChIKeyGBAFWKTWLYVMIQ-UHFFFAOYSA-N
XLogP3.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-Dioxaspiro[4.5]decan-8-ylmethanesulfonate
CID 18471417
8-(Iodomethyl)-1,4-dioxaspiro[4.5]decane
CID 21959058
CID 59269786
CID 59269786
8-Methanidyl-1,4-dioxaspiro[4.5]decane;yttrium
CID 59312515
8-(Methylsulfanylmethyl)-1,4-dioxaspiro[4.5]decane
CID 131182894
2-(1,4-Dioxaspiro[4.5]decan-8-yl)ethoxy thiohypoiodite
CID 143376002
[8-(Iodosulfanylmethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methyl thiohypoiodite
CID 144600443
(8-Methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl thiohypoiodite
CID 144600478
8-Methanidyl-1,4-dioxaspiro[4.5]decane;ZINC
CID 163945573

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxaspiro[4.5]decan-8-ylmethyl thiohypoiodite?
The IUPAC name of 1,4-dioxaspiro[4.5]decan-8-ylmethyl thiohypoiodite (CID 147605703) is 1,4-dioxaspiro[4.5]decan-8-ylmethyl thiohypoiodite.
What is the SMILES notation for 1,4-dioxaspiro[4.5]decan-8-ylmethyl thiohypoiodite?
The canonical SMILES for 1,4-dioxaspiro[4.5]decan-8-ylmethyl thiohypoiodite is ISCC1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxaspiro[4.5]decan-8-ylmethyl thiohypoiodite?
The InChIKey is GBAFWKTWLYVMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15IO2S/c10-13-7-8-1-3-9(4-2-8)11-5-6-12-9/h8H,1-7H2.
What are the key properties of 1,4-dioxaspiro[4.5]decan-8-ylmethyl thiohypoiodite?
1,4-dioxaspiro[4.5]decan-8-ylmethyl thiohypoiodite has a molecular weight of 314.19 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxaspiro[4.5]decan-8-ylmethyl thiohypoiodite is sourced from PubChem (CID 147605703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).