1-(ethoxymethoxy)-13-iodotridec-3-ene

C16H31IO2 — CID 163205082

IUPAC1-(ethoxymethoxy)-13-iodotridec-3-ene
SMILESCCOCOCCC=CCCCCCCCCCI
InChIInChI=1S/C16H31IO2/c1-2-18-16-19-15-13-11-9-7-5-3-4-6-8-10-12-14-17/h9,11H,2-8,10,12-16H2,1H3
InChIKeyJCMVUAZRIIRYMG-UHFFFAOYSA-N
MW382.33 g/mol
LogP5.50
Rot. Bonds15

About 1-(ethoxymethoxy)-13-iodotridec-3-ene

1-(ethoxymethoxy)-13-iodotridec-3-ene (PubChem CID 163205082) has the molecular formula C16H31IO2 and a molecular weight of 382.33 g/mol. Its IUPAC name is 1-(ethoxymethoxy)-13-iodotridec-3-ene.

Molecular Properties

Compound Name1-(ethoxymethoxy)-13-iodotridec-3-ene
PubChem CID163205082
Molecular FormulaC16H31IO2
Molecular Weight382.33 g/mol
Exact Mass382.14
IUPAC Name1-(ethoxymethoxy)-13-iodotridec-3-ene
SMILESCCOCOCCC=CCCCCCCCCCI
InChIInChI=1S/C16H31IO2/c1-2-18-16-19-15-13-11-9-7-5-3-4-6-8-10-12-14-17/h9,11H,2-8,10,12-16H2,1H3
InChIKeyJCMVUAZRIIRYMG-UHFFFAOYSA-N
XLogP5.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.33
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

10-iodo-1-(octoxymethoxy)dec-3-ene
CID 163205018
14-iodo-1-(pentoxymethoxy)tetradec-3-ene
CID 163205149
1-(decoxymethoxy)-12-iodododec-3-ene
CID 172551606
(E)-6-(ethoxymethoxy)hex-3-en-1-ol
CID 163205159
1-iodooctadec-9-ene
CID 54335448
(E)-1-iodoheptadec-8-ene
CID 118861241
(3Z,13E)-1-(methoxymethoxy)octadeca-3,13-diene
CID 164728509
10-bromo-1-(pentoxymethoxy)dec-3-ene
CID 163204735
10-bromo-1-(hexoxymethoxy)dec-3-ene
CID 163204779
14-bromo-1-(nonoxymethoxy)tetradec-3-ene
CID 163204951
12-bromo-1-(heptoxymethoxy)dodec-3-ene
CID 172551604
14-bromo-1-(decoxymethoxy)tetradec-3-ene
CID 163204993

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethoxy)-13-iodotridec-3-ene?
The IUPAC name of 1-(ethoxymethoxy)-13-iodotridec-3-ene (CID 163205082) is 1-(ethoxymethoxy)-13-iodotridec-3-ene.
What is the SMILES notation for 1-(ethoxymethoxy)-13-iodotridec-3-ene?
The canonical SMILES for 1-(ethoxymethoxy)-13-iodotridec-3-ene is CCOCOCCC=CCCCCCCCCCI.
What is the InChIKey of 1-(ethoxymethoxy)-13-iodotridec-3-ene?
The InChIKey is JCMVUAZRIIRYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31IO2/c1-2-18-16-19-15-13-11-9-7-5-3-4-6-8-10-12-14-17/h9,11H,2-8,10,12-16H2,1H3.
What are the key properties of 1-(ethoxymethoxy)-13-iodotridec-3-ene?
1-(ethoxymethoxy)-13-iodotridec-3-ene has a molecular weight of 382.33 g/mol, XLogP of 5.50, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethoxy)-13-iodotridec-3-ene is sourced from PubChem (CID 163205082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).