7-iodo-2,2-dimethyl-4H-1,3-benzodioxine

C10H11IO2 — CID 23439888

IUPAC7-iodo-2,2-dimethyl-4H-1,3-benzodioxine
SMILESCC1(C)OCc2ccc(I)cc2O1
InChIInChI=1S/C10H11IO2/c1-10(2)12-6-7-3-4-8(11)5-9(7)13-10/h3-5H,6H2,1-2H3
InChIKeyFPKPINPNIQDFRP-UHFFFAOYSA-N
MW290.10 g/mol
LogP2.94
Rot. Bonds

About 7-iodo-2,2-dimethyl-4H-1,3-benzodioxine

7-iodo-2,2-dimethyl-4H-1,3-benzodioxine (PubChem CID 23439888) has the molecular formula C10H11IO2 and a molecular weight of 290.10 g/mol. Its IUPAC name is 7-iodo-2,2-dimethyl-4H-1,3-benzodioxine.

Molecular Properties

Compound Name7-iodo-2,2-dimethyl-4H-1,3-benzodioxine
PubChem CID23439888
Molecular FormulaC10H11IO2
Molecular Weight290.10 g/mol
Exact Mass289.98
IUPAC Name7-iodo-2,2-dimethyl-4H-1,3-benzodioxine
SMILESCC1(C)OCc2ccc(I)cc2O1
InChIInChI=1S/C10H11IO2/c1-10(2)12-6-7-3-4-8(11)5-9(7)13-10/h3-5H,6H2,1-2H3
InChIKeyFPKPINPNIQDFRP-UHFFFAOYSA-N
XLogP2.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-iodo-2,2-dimethyl-4H-1,3-benzodioxine?
The IUPAC name of 7-iodo-2,2-dimethyl-4H-1,3-benzodioxine (CID 23439888) is 7-iodo-2,2-dimethyl-4H-1,3-benzodioxine.
What is the SMILES notation for 7-iodo-2,2-dimethyl-4H-1,3-benzodioxine?
The canonical SMILES for 7-iodo-2,2-dimethyl-4H-1,3-benzodioxine is CC1(C)OCc2ccc(I)cc2O1.
What is the InChIKey of 7-iodo-2,2-dimethyl-4H-1,3-benzodioxine?
The InChIKey is FPKPINPNIQDFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO2/c1-10(2)12-6-7-3-4-8(11)5-9(7)13-10/h3-5H,6H2,1-2H3.
What are the key properties of 7-iodo-2,2-dimethyl-4H-1,3-benzodioxine?
7-iodo-2,2-dimethyl-4H-1,3-benzodioxine has a molecular weight of 290.10 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-2,2-dimethyl-4H-1,3-benzodioxine is sourced from PubChem (CID 23439888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).