(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl thiohypoiodite

C10H17IO2S — CID 144600478

IUPAC(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl thiohypoiodite
SMILESCC1(CSI)CCC2(CC1)OCCO2
InChIInChI=1S/C10H17IO2S/c1-9(8-14-11)2-4-10(5-3-9)12-6-7-13-10/h2-8H2,1H3
InChIKeyFMLNQOCVYWQTQO-UHFFFAOYSA-N
MW328.22 g/mol
LogP3.39
Rot. Bonds2

About (8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl thiohypoiodite

(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl thiohypoiodite (PubChem CID 144600478) has the molecular formula C10H17IO2S and a molecular weight of 328.22 g/mol. Its IUPAC name is (8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl thiohypoiodite.

Molecular Properties

Compound Name(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl thiohypoiodite
PubChem CID144600478
Molecular FormulaC10H17IO2S
Molecular Weight328.22 g/mol
Exact Mass328.00
IUPAC Name(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl thiohypoiodite
SMILESCC1(CSI)CCC2(CC1)OCCO2
InChIInChI=1S/C10H17IO2S/c1-9(8-14-11)2-4-10(5-3-9)12-6-7-13-10/h2-8H2,1H3
InChIKeyFMLNQOCVYWQTQO-UHFFFAOYSA-N
XLogP3.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl thiohypoiodite?
The IUPAC name of (8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl thiohypoiodite (CID 144600478) is (8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl thiohypoiodite.
What is the SMILES notation for (8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl thiohypoiodite?
The canonical SMILES for (8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl thiohypoiodite is CC1(CSI)CCC2(CC1)OCCO2.
What is the InChIKey of (8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl thiohypoiodite?
The InChIKey is FMLNQOCVYWQTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IO2S/c1-9(8-14-11)2-4-10(5-3-9)12-6-7-13-10/h2-8H2,1H3.
What are the key properties of (8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl thiohypoiodite?
(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl thiohypoiodite has a molecular weight of 328.22 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl thiohypoiodite is sourced from PubChem (CID 144600478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).