1-ethoxy-1-iodooct-1-ene

C10H19IO — CID 173444253

IUPAC1-ethoxy-1-iodooct-1-ene
SMILESCCCCCCC=C(I)OCC
InChIInChI=1S/C10H19IO/c1-3-5-6-7-8-9-10(11)12-4-2/h9H,3-8H2,1-2H3
InChIKeyXZEBXLYPBVIGDW-UHFFFAOYSA-N
MW282.16 g/mol
LogP4.27
Rot. Bonds7

About 1-ethoxy-1-iodooct-1-ene

1-ethoxy-1-iodooct-1-ene (PubChem CID 173444253) has the molecular formula C10H19IO and a molecular weight of 282.16 g/mol. Its IUPAC name is 1-ethoxy-1-iodooct-1-ene.

Molecular Properties

Compound Name1-ethoxy-1-iodooct-1-ene
PubChem CID173444253
Molecular FormulaC10H19IO
Molecular Weight282.16 g/mol
Exact Mass282.05
IUPAC Name1-ethoxy-1-iodooct-1-ene
SMILESCCCCCCC=C(I)OCC
InChIInChI=1S/C10H19IO/c1-3-5-6-7-8-9-10(11)12-4-2/h9H,3-8H2,1-2H3
InChIKeyXZEBXLYPBVIGDW-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.16
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-ethoxy-1-iodooct-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

1,1-diiodonon-1-ene
CID 141002826
(E)-2-iodonon-2-ene
CID 10444893
tricos-1-ene-1,1-diamine
CID 141373485
ethyl (Z)-2-fluorohexadec-2-enoate
CID 89415305
10-icos-9-en-10-yloxyicos-9-ene
CID 57044989
undec-1-ene-1,1-diol
CID 87556705
undec-3-en-3-amine
CID 151904505
(E)-2-[(E)-pentadec-2-en-2-yl]oxypentadec-2-ene
CID 90470665
1-chlorooctadec-1-en-1-amine
CID 173460084
ethyl (Z)-2-fluorooct-2-enoate
CID 10867106
[(E)-1-ethoxyhept-1-enoxy]-trimethylsilane
CID 12886687
ethyl (Z)-3-hexyldec-3-enoate
CID 24977438

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-iodooct-1-ene?
The IUPAC name of 1-ethoxy-1-iodooct-1-ene (CID 173444253) is 1-ethoxy-1-iodooct-1-ene.
What is the SMILES notation for 1-ethoxy-1-iodooct-1-ene?
The canonical SMILES for 1-ethoxy-1-iodooct-1-ene is CCCCCCC=C(I)OCC.
What is the InChIKey of 1-ethoxy-1-iodooct-1-ene?
The InChIKey is XZEBXLYPBVIGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19IO/c1-3-5-6-7-8-9-10(11)12-4-2/h9H,3-8H2,1-2H3.
What are the key properties of 1-ethoxy-1-iodooct-1-ene?
1-ethoxy-1-iodooct-1-ene has a molecular weight of 282.16 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-iodooct-1-ene is sourced from PubChem (CID 173444253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).