molecular iodine;1,2,3-trimethoxypropane

C6H14I2O3 — CID 54267634

IUPACmolecular iodine;1,2,3-trimethoxypropane
SMILESCOCC(COC)OC.II
InChIInChI=1S/C6H14O3.I2/c1-7-4-6(9-3)5-8-2;1-2/h6H,4-5H2,1-3H3;
InChIKeyRHWIJSPHBQUKOY-UHFFFAOYSA-N
MW387.98 g/mol
LogP2.07
Rot. Bonds5

About molecular iodine;1,2,3-trimethoxypropane

molecular iodine;1,2,3-trimethoxypropane (PubChem CID 54267634) has the molecular formula C6H14I2O3 and a molecular weight of 387.98 g/mol. Its IUPAC name is molecular iodine;1,2,3-trimethoxypropane.

Molecular Properties

Compound Namemolecular iodine;1,2,3-trimethoxypropane
PubChem CID54267634
Molecular FormulaC6H14I2O3
Molecular Weight387.98 g/mol
Exact Mass387.90
IUPAC Namemolecular iodine;1,2,3-trimethoxypropane
SMILESCOCC(COC)OC.II
InChIInChI=1S/C6H14O3.I2/c1-7-4-6(9-3)5-8-2;1-2/h6H,4-5H2,1-3H3;
InChIKeyRHWIJSPHBQUKOY-UHFFFAOYSA-N
XLogP2.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.98
LogP ≤ 52.07
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 molecular iodine;1,2,3-trimethoxypropane?
The IUPAC name of molecular iodine;1,2,3-trimethoxypropane (CID 54267634) is molecular iodine;1,2,3-trimethoxypropane.
What is the SMILES notation for molecular iodine;1,2,3-trimethoxypropane?
The canonical SMILES for molecular iodine;1,2,3-trimethoxypropane is COCC(COC)OC.II.
What is the InChIKey of molecular iodine;1,2,3-trimethoxypropane?
The InChIKey is RHWIJSPHBQUKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.I2/c1-7-4-6(9-3)5-8-2;1-2/h6H,4-5H2,1-3H3;.
What are the key properties of molecular iodine;1,2,3-trimethoxypropane?
molecular iodine;1,2,3-trimethoxypropane has a molecular weight of 387.98 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular iodine;1,2,3-trimethoxypropane is sourced from PubChem (CID 54267634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).