1-ethoxy-1-(1-ethoxy-11-iodoundec-4-enoxy)-11-iodoundec-4-ene

C26H48I2O3 — CID 163287699

IUPAC1-ethoxy-1-(1-ethoxy-11-iodoundec-4-enoxy)-11-iodoundec-4-ene
SMILESCCOC(CCC=CCCCCCCI)OC(CCC=CCCCCCCI)OCC
InChIInChI=1S/C26H48I2O3/c1-3-29-25(21-17-13-9-5-7-11-15-19-23-27)31-26(30-4-2)22-18-14-10-6-8-12-16-20-24-28/h9-10,13-14,25-26H,3-8,11-12,15-24H2,1-2H3
InChIKeyDJOVFPURVIVAJF-UHFFFAOYSA-N
MW662.48 g/mol
LogP9.17
Rot. Bonds24

About 1-ethoxy-1-(1-ethoxy-11-iodoundec-4-enoxy)-11-iodoundec-4-ene

1-ethoxy-1-(1-ethoxy-11-iodoundec-4-enoxy)-11-iodoundec-4-ene (PubChem CID 163287699) has the molecular formula C26H48I2O3 and a molecular weight of 662.48 g/mol. Its IUPAC name is 1-ethoxy-1-(1-ethoxy-11-iodoundec-4-enoxy)-11-iodoundec-4-ene.

Molecular Properties

Compound Name1-ethoxy-1-(1-ethoxy-11-iodoundec-4-enoxy)-11-iodoundec-4-ene
PubChem CID163287699
Molecular FormulaC26H48I2O3
Molecular Weight662.48 g/mol
Exact Mass662.17
IUPAC Name1-ethoxy-1-(1-ethoxy-11-iodoundec-4-enoxy)-11-iodoundec-4-ene
SMILESCCOC(CCC=CCCCCCCI)OC(CCC=CCCCCCCI)OCC
InChIInChI=1S/C26H48I2O3/c1-3-29-25(21-17-13-9-5-7-11-15-19-23-27)31-26(30-4-2)22-18-14-10-6-8-12-16-20-24-28/h9-10,13-14,25-26H,3-8,11-12,15-24H2,1-2H3
InChIKeyDJOVFPURVIVAJF-UHFFFAOYSA-N
XLogP9.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.48
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 163287899
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CID 163287668
19-chloro-1-(19-chloro-1-ethoxynonadec-4-enoxy)-1-ethoxynonadec-4-ene
CID 163287739
14-chloro-1-(14-chloro-1-ethoxytetradec-4-enoxy)-1-ethoxytetradec-4-ene
CID 163288002
(4Z,14Z)-1-butoxy-1-[(4Z,14Z)-1-butoxynonadeca-4,14-dienoxy]nonadeca-4,14-diene
CID 175229325
16,16-diethoxyhexadec-3-ene
CID 91492223
(5Z,7E)-13-ethoxy-13-[(6E,8Z)-1-ethoxytrideca-6,8-dienoxy]trideca-5,7-diene
CID 162350331
1-iodooctadec-9-ene
CID 54335448
(E)-1-iodoheptadec-8-ene
CID 118861241
(E)-16,16-diethoxyhexadec-3-en-1-ol
CID 163205889
(Z)-1,1-diethoxy-14-methylhexadec-8-ene
CID 20841393
(E,14R)-1,1-diethoxy-14-methylhexadec-8-ene
CID 6450379

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-(1-ethoxy-11-iodoundec-4-enoxy)-11-iodoundec-4-ene?
The IUPAC name of 1-ethoxy-1-(1-ethoxy-11-iodoundec-4-enoxy)-11-iodoundec-4-ene (CID 163287699) is 1-ethoxy-1-(1-ethoxy-11-iodoundec-4-enoxy)-11-iodoundec-4-ene.
What is the SMILES notation for 1-ethoxy-1-(1-ethoxy-11-iodoundec-4-enoxy)-11-iodoundec-4-ene?
The canonical SMILES for 1-ethoxy-1-(1-ethoxy-11-iodoundec-4-enoxy)-11-iodoundec-4-ene is CCOC(CCC=CCCCCCCI)OC(CCC=CCCCCCCI)OCC.
What is the InChIKey of 1-ethoxy-1-(1-ethoxy-11-iodoundec-4-enoxy)-11-iodoundec-4-ene?
The InChIKey is DJOVFPURVIVAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48I2O3/c1-3-29-25(21-17-13-9-5-7-11-15-19-23-27)31-26(30-4-2)22-18-14-10-6-8-12-16-20-24-28/h9-10,13-14,25-26H,3-8,11-12,15-24H2,1-2H3.
What are the key properties of 1-ethoxy-1-(1-ethoxy-11-iodoundec-4-enoxy)-11-iodoundec-4-ene?
1-ethoxy-1-(1-ethoxy-11-iodoundec-4-enoxy)-11-iodoundec-4-ene has a molecular weight of 662.48 g/mol, XLogP of 9.17, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-(1-ethoxy-11-iodoundec-4-enoxy)-11-iodoundec-4-ene is sourced from PubChem (CID 163287699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).