(E)-1-diethoxyphosphoryl-1-iodohex-1-ene

C10H20IO3P — CID 10871690

IUPAC(E)-1-diethoxyphosphoryl-1-iodohex-1-ene
SMILESCCCC/C=C(/I)P(=O)(OCC)OCC
InChIInChI=1S/C10H20IO3P/c1-4-7-8-9-10(11)15(12,13-5-2)14-6-3/h9H,4-8H2,1-3H3/b10-9-
InChIKeyODPFYGTXODUJGY-KTKRTIGZSA-N
MW346.15 g/mol
LogP4.72
Rot. Bonds8

About (E)-1-diethoxyphosphoryl-1-iodohex-1-ene

(E)-1-diethoxyphosphoryl-1-iodohex-1-ene (PubChem CID 10871690) has the molecular formula C10H20IO3P and a molecular weight of 346.15 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-1-iodohex-1-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryl-1-iodohex-1-ene
PubChem CID10871690
Molecular FormulaC10H20IO3P
Molecular Weight346.15 g/mol
Exact Mass346.02
IUPAC Name(E)-1-diethoxyphosphoryl-1-iodohex-1-ene
SMILESCCCC/C=C(/I)P(=O)(OCC)OCC
InChIInChI=1S/C10H20IO3P/c1-4-7-8-9-10(11)15(12,13-5-2)14-6-3/h9H,4-8H2,1-3H3/b10-9-
InChIKeyODPFYGTXODUJGY-KTKRTIGZSA-N
XLogP4.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 54.72
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'}

Analyze (E)-1-diethoxyphosphoryl-1-iodohex-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Diethoxyphosphorylocta-1,2-diene
CID 13016165
3-Diethoxyphosphorylhepta-1,2-diene
CID 16079428
6-Diethoxyphosphoryldeca-4,5-diene
CID 25215346
Ethoxy(hepta-1,2-dien-3-yl)phosphinic acid
CID 25215583
2-Diethoxyphosphorylhexa-2,3-diene
CID 135064822
(E)-1-diethoxyphosphoryl-1-iodopent-1-ene
CID 135080967
(3Z)-3-[diethoxyphosphoryl(iodo)methylidene]hept-1-ene
CID 11474216
5-Diethoxyphosphoryl-5-iodopent-1-ene
CID 101795413
1-Diethoxyphosphoryl-5-iodopent-1-ene
CID 53837983
1-Diethoxyphosphoryl-4-iodobut-1-ene
CID 53882439
4-Diethoxyphosphoryl-5-iodopent-1-ene
CID 54108653
4-Diethoxyphosphoryl-4-iodobut-1-ene
CID 54291083

Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphoryl-1-iodohex-1-ene?
The IUPAC name of (E)-1-diethoxyphosphoryl-1-iodohex-1-ene (CID 10871690) is (E)-1-diethoxyphosphoryl-1-iodohex-1-ene.
What is the SMILES notation for (E)-1-diethoxyphosphoryl-1-iodohex-1-ene?
The canonical SMILES for (E)-1-diethoxyphosphoryl-1-iodohex-1-ene is CCCC/C=C(/I)P(=O)(OCC)OCC.
What is the InChIKey of (E)-1-diethoxyphosphoryl-1-iodohex-1-ene?
The InChIKey is ODPFYGTXODUJGY-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H20IO3P/c1-4-7-8-9-10(11)15(12,13-5-2)14-6-3/h9H,4-8H2,1-3H3/b10-9-.
What are the key properties of (E)-1-diethoxyphosphoryl-1-iodohex-1-ene?
(E)-1-diethoxyphosphoryl-1-iodohex-1-ene has a molecular weight of 346.15 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphoryl-1-iodohex-1-ene is sourced from PubChem (CID 10871690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).