molecular iodine;trimethoxy(methylidene)-λ5-phosphane

C4H11I2O3P — CID 161316656

IUPACmolecular iodine;trimethoxy(methylidene)-λ5-phosphane
SMILESC=P(OC)(OC)OC.II
InChIInChI=1S/C4H11O3P.I2/c1-5-8(4,6-2)7-3;1-2/h4H2,1-3H3;
InChIKeyVJOWQBAMNFRNAR-UHFFFAOYSA-N
MW391.91 g/mol
LogP2.89
Rot. Bonds3

About molecular iodine;trimethoxy(methylidene)-λ5-phosphane

molecular iodine;trimethoxy(methylidene)-λ5-phosphane (PubChem CID 161316656) has the molecular formula C4H11I2O3P and a molecular weight of 391.91 g/mol. Its IUPAC name is molecular iodine;trimethoxy(methylidene)-λ5-phosphane.

Molecular Properties

Compound Namemolecular iodine;trimethoxy(methylidene)-λ5-phosphane
PubChem CID161316656
Molecular FormulaC4H11I2O3P
Molecular Weight391.91 g/mol
Exact Mass391.85
IUPAC Namemolecular iodine;trimethoxy(methylidene)-λ5-phosphane
SMILESC=P(OC)(OC)OC.II
InChIInChI=1S/C4H11O3P.I2/c1-5-8(4,6-2)7-3;1-2/h4H2,1-3H3;
InChIKeyVJOWQBAMNFRNAR-UHFFFAOYSA-N
XLogP2.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.91
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of molecular iodine;trimethoxy(methylidene)-λ5-phosphane?
The IUPAC name of molecular iodine;trimethoxy(methylidene)-λ5-phosphane (CID 161316656) is molecular iodine;trimethoxy(methylidene)-λ5-phosphane.
What is the SMILES notation for molecular iodine;trimethoxy(methylidene)-λ5-phosphane?
The canonical SMILES for molecular iodine;trimethoxy(methylidene)-λ5-phosphane is C=P(OC)(OC)OC.II.
What is the InChIKey of molecular iodine;trimethoxy(methylidene)-λ5-phosphane?
The InChIKey is VJOWQBAMNFRNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O3P.I2/c1-5-8(4,6-2)7-3;1-2/h4H2,1-3H3;.
What are the key properties of molecular iodine;trimethoxy(methylidene)-λ5-phosphane?
molecular iodine;trimethoxy(methylidene)-λ5-phosphane has a molecular weight of 391.91 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular iodine;trimethoxy(methylidene)-λ5-phosphane is sourced from PubChem (CID 161316656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).