diiodo propyl phosphate

C3H7I2O4P — CID 175578929

IUPACdiiodo propyl phosphate
SMILESCCCOP(=O)(OI)OI
InChIInChI=1S/C3H7I2O4P/c1-2-3-7-10(6,8-4)9-5/h2-3H2,1H3
InChIKeyLQNQIWHBVJYUTN-UHFFFAOYSA-N
MW391.87 g/mol
LogP3.25
Rot. Bonds5

About diiodo propyl phosphate

diiodo propyl phosphate (PubChem CID 175578929) has the molecular formula C3H7I2O4P and a molecular weight of 391.87 g/mol. Its IUPAC name is diiodo propyl phosphate.

Molecular Properties

Compound Namediiodo propyl phosphate
PubChem CID175578929
Molecular FormulaC3H7I2O4P
Molecular Weight391.87 g/mol
Exact Mass391.82
IUPAC Namediiodo propyl phosphate
SMILESCCCOP(=O)(OI)OI
InChIInChI=1S/C3H7I2O4P/c1-2-3-7-10(6,8-4)9-5/h2-3H2,1H3
InChIKeyLQNQIWHBVJYUTN-UHFFFAOYSA-N
XLogP3.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.87
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diheptyl propyl phosphate
CID 22497721
1-[methyl(propoxy)phosphoryl]oxypropane
CID 566276
dipropoxyphosphoryl hydrogen carbonate
CID 175546987
terbium;tributyl phosphate
CID 90187591
tributyl phosphate;trihydrochloride
CID 173157313
europium;tributyl phosphate
CID 90187569
1-[fluoro(iodo)phosphoryl]oxypropane
CID 175579008
propyl bis(prop-2-ynyl) phosphate
CID 23470663
dodecyl dioctyl phosphate
CID 57134013
diheptyl hexyl phosphate
CID 175578950
[ethoxy(hydroxy)phosphoryl] dipropyl phosphate
CID 89297005
bis(2-chloropropyl) propyl phosphate
CID 142724190

Frequently Asked Questions

What is the IUPAC name of diiodo propyl phosphate?
The IUPAC name of diiodo propyl phosphate (CID 175578929) is diiodo propyl phosphate.
What is the SMILES notation for diiodo propyl phosphate?
The canonical SMILES for diiodo propyl phosphate is CCCOP(=O)(OI)OI.
What is the InChIKey of diiodo propyl phosphate?
The InChIKey is LQNQIWHBVJYUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7I2O4P/c1-2-3-7-10(6,8-4)9-5/h2-3H2,1H3.
What are the key properties of diiodo propyl phosphate?
diiodo propyl phosphate has a molecular weight of 391.87 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diiodo propyl phosphate is sourced from PubChem (CID 175578929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).