1,3-benzodioxol-5-ylmethyl(dimethyl)-λ3-iodane

C10H13IO2 — CID 163882429

IUPAC1,3-benzodioxol-5-ylmethyl(dimethyl)-λ3-iodane
SMILESCI(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C10H13IO2/c1-11(2)6-8-3-4-9-10(5-8)13-7-12-9/h3-5H,6-7H2,1-2H3
InChIKeyPUKFKZFWTPJGJT-UHFFFAOYSA-N
MW292.12 g/mol
LogP2.68
Rot. Bonds2

About 1,3-benzodioxol-5-ylmethyl(dimethyl)-λ3-iodane

1,3-benzodioxol-5-ylmethyl(dimethyl)-λ3-iodane (PubChem CID 163882429) has the molecular formula C10H13IO2 and a molecular weight of 292.12 g/mol. Its IUPAC name is 1,3-benzodioxol-5-ylmethyl(dimethyl)-λ3-iodane.

Molecular Properties

Compound Name1,3-benzodioxol-5-ylmethyl(dimethyl)-λ3-iodane
PubChem CID163882429
Molecular FormulaC10H13IO2
Molecular Weight292.12 g/mol
Exact Mass292.00
IUPAC Name1,3-benzodioxol-5-ylmethyl(dimethyl)-λ3-iodane
SMILESCI(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C10H13IO2/c1-11(2)6-8-3-4-9-10(5-8)13-7-12-9/h3-5H,6-7H2,1-2H3
InChIKeyPUKFKZFWTPJGJT-UHFFFAOYSA-N
XLogP2.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2-chloroethyl)-1,3-benzodioxole
CID 15815969
1,2-bis(1,3-benzodioxol-5-ylmethyl)hydrazine;hydrochloride
CID 54605734
1,3-benzodioxol-5-ylmethyl(trifluoro)boranuide
CID 138967378
5-ethyl-1,3-benzodioxole;N-methylethanamine
CID 158103316
acetylene;5-ethyl-1,3-benzodioxole;2-methylpropane
CID 142810291
5-methyl-1,3-benzodioxole
CID 142082223
5-[2-(1,3-benzodioxol-5-yl)ethyl]-6-[6-[2-(1,3-benzodioxol-5-yl)ethyl]-1,3-benzodioxol-5-yl]-1,3-benzodioxole
CID 172870982
5-(nitrosomethyl)-1,3-benzodioxole
CID 54405067
O-(1,3-benzodioxol-5-ylmethyl)hydroxylamine
CID 22419624
5-(2,2,2-trifluoroethyl)-1,3-benzodioxole
CID 116932124
1-(1,3-benzodioxol-5-yl)-N,N-dimethylpropan-2-amine
CID 551630
N'-(1,3-benzodioxol-5-ylmethyl)-N'-methylmethanediamine
CID 115225852

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-ylmethyl(dimethyl)-λ3-iodane?
The IUPAC name of 1,3-benzodioxol-5-ylmethyl(dimethyl)-λ3-iodane (CID 163882429) is 1,3-benzodioxol-5-ylmethyl(dimethyl)-λ3-iodane.
What is the SMILES notation for 1,3-benzodioxol-5-ylmethyl(dimethyl)-λ3-iodane?
The canonical SMILES for 1,3-benzodioxol-5-ylmethyl(dimethyl)-λ3-iodane is CI(C)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 1,3-benzodioxol-5-ylmethyl(dimethyl)-λ3-iodane?
The InChIKey is PUKFKZFWTPJGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IO2/c1-11(2)6-8-3-4-9-10(5-8)13-7-12-9/h3-5H,6-7H2,1-2H3.
What are the key properties of 1,3-benzodioxol-5-ylmethyl(dimethyl)-λ3-iodane?
1,3-benzodioxol-5-ylmethyl(dimethyl)-λ3-iodane has a molecular weight of 292.12 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-ylmethyl(dimethyl)-λ3-iodane is sourced from PubChem (CID 163882429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).