1-diethoxyphosphoryl-1-iodohept-1-ene

C11H22IO3P — CID 71377370

IUPAC1-diethoxyphosphoryl-1-iodohept-1-ene
SMILESCCCCCC=C(I)P(=O)(OCC)OCC
InChIInChI=1S/C11H22IO3P/c1-4-7-8-9-10-11(12)16(13,14-5-2)15-6-3/h10H,4-9H2,1-3H3
InChIKeyHRQFNQGDUACOEU-UHFFFAOYSA-N
MW360.17 g/mol
LogP5.11
Rot. Bonds9

About 1-diethoxyphosphoryl-1-iodohept-1-ene

1-diethoxyphosphoryl-1-iodohept-1-ene (PubChem CID 71377370) has the molecular formula C11H22IO3P and a molecular weight of 360.17 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-1-iodohept-1-ene.

Molecular Properties

Compound Name1-diethoxyphosphoryl-1-iodohept-1-ene
PubChem CID71377370
Molecular FormulaC11H22IO3P
Molecular Weight360.17 g/mol
Exact Mass360.04
IUPAC Name1-diethoxyphosphoryl-1-iodohept-1-ene
SMILESCCCCCC=C(I)P(=O)(OCC)OCC
InChIInChI=1S/C11H22IO3P/c1-4-7-8-9-10-11(12)16(13,14-5-2)15-6-3/h10H,4-9H2,1-3H3
InChIKeyHRQFNQGDUACOEU-UHFFFAOYSA-N
XLogP5.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.17
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1-diethoxyphosphoryl-1-iodohept-1-ene?
The IUPAC name of 1-diethoxyphosphoryl-1-iodohept-1-ene (CID 71377370) is 1-diethoxyphosphoryl-1-iodohept-1-ene.
What is the SMILES notation for 1-diethoxyphosphoryl-1-iodohept-1-ene?
The canonical SMILES for 1-diethoxyphosphoryl-1-iodohept-1-ene is CCCCCC=C(I)P(=O)(OCC)OCC.
What is the InChIKey of 1-diethoxyphosphoryl-1-iodohept-1-ene?
The InChIKey is HRQFNQGDUACOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22IO3P/c1-4-7-8-9-10-11(12)16(13,14-5-2)15-6-3/h10H,4-9H2,1-3H3.
What are the key properties of 1-diethoxyphosphoryl-1-iodohept-1-ene?
1-diethoxyphosphoryl-1-iodohept-1-ene has a molecular weight of 360.17 g/mol, XLogP of 5.11, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-1-iodohept-1-ene is sourced from PubChem (CID 71377370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).