2-(1,4-dioxaspiro[4.5]decan-8-yl)ethoxy thiohypoiodite

C10H17IO3S — CID 143376002

IUPAC2-(1,4-dioxaspiro[4.5]decan-8-yl)ethoxy thiohypoiodite
SMILESISOCCC1CCC2(CC1)OCCO2
InChIInChI=1S/C10H17IO3S/c11-15-14-6-3-9-1-4-10(5-2-9)12-7-8-13-10/h9H,1-8H2
InChIKeyICMSYAGBFATBMY-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.32
Rot. Bonds4

About 2-(1,4-dioxaspiro[4.5]decan-8-yl)ethoxy thiohypoiodite

2-(1,4-dioxaspiro[4.5]decan-8-yl)ethoxy thiohypoiodite (PubChem CID 143376002) has the molecular formula C10H17IO3S and a molecular weight of 344.21 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-8-yl)ethoxy thiohypoiodite.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-8-yl)ethoxy thiohypoiodite
PubChem CID143376002
Molecular FormulaC10H17IO3S
Molecular Weight344.21 g/mol
Exact Mass343.99
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-8-yl)ethoxy thiohypoiodite
SMILESISOCCC1CCC2(CC1)OCCO2
InChIInChI=1S/C10H17IO3S/c11-15-14-6-3-9-1-4-10(5-2-9)12-7-8-13-10/h9H,1-8H2
InChIKeyICMSYAGBFATBMY-UHFFFAOYSA-N
XLogP3.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-yl)ethoxy thiohypoiodite?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-yl)ethoxy thiohypoiodite (CID 143376002) is 2-(1,4-dioxaspiro[4.5]decan-8-yl)ethoxy thiohypoiodite.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-8-yl)ethoxy thiohypoiodite?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-8-yl)ethoxy thiohypoiodite is ISOCCC1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-8-yl)ethoxy thiohypoiodite?
The InChIKey is ICMSYAGBFATBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IO3S/c11-15-14-6-3-9-1-4-10(5-2-9)12-7-8-13-10/h9H,1-8H2.
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-8-yl)ethoxy thiohypoiodite?
2-(1,4-dioxaspiro[4.5]decan-8-yl)ethoxy thiohypoiodite has a molecular weight of 344.21 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-8-yl)ethoxy thiohypoiodite is sourced from PubChem (CID 143376002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).