[(E)-8-iodooct-7-enyl] acetate

C10H17IO2 — CID 14157625

IUPAC[(E)-8-iodooct-7-enyl] acetate
SMILESCC(=O)OCCCCCC/C=C/I
InChIInChI=1S/C10H17IO2/c1-10(12)13-9-7-5-3-2-4-6-8-11/h6,8H,2-5,7,9H2,1H3/b8-6+
InChIKeyNBFHWVZFXCGAGZ-SOFGYWHQSA-N
MW296.15 g/mol
LogP3.45
Rot. Bonds7

About [(E)-8-iodooct-7-enyl] acetate

[(E)-8-iodooct-7-enyl] acetate (PubChem CID 14157625) has the molecular formula C10H17IO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is [(E)-8-iodooct-7-enyl] acetate.

Molecular Properties

Compound Name[(E)-8-iodooct-7-enyl] acetate
PubChem CID14157625
Molecular FormulaC10H17IO2
Molecular Weight296.15 g/mol
Exact Mass296.03
IUPAC Name[(E)-8-iodooct-7-enyl] acetate
SMILESCC(=O)OCCCCCC/C=C/I
InChIInChI=1S/C10H17IO2/c1-10(12)13-9-7-5-3-2-4-6-8-11/h6,8H,2-5,7,9H2,1H3/b8-6+
InChIKeyNBFHWVZFXCGAGZ-SOFGYWHQSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

20-acetyloxyicos-11-enyl acetate
CID 537116
[(E)-18-acetyloxyoctadec-9-enyl] acetate
CID 11783567
16-acetyloxyhexadeca-4,12-dienyl acetate
CID 54570942
[(4E,12E)-16-acetyloxyhexadeca-4,12-dienyl] acetate
CID 23331437
[(E)-14-iodotetradec-11-enyl] acetate
CID 163205043
tridec-11-enyl acetate
CID 537063
[(E)-tetradec-12-enyl] acetate
CID 5365773
dec-8-enyl acetate
CID 73186998
octadec-8-enyl acetate
CID 538134
[(Z)-tridec-10-enyl] acetate
CID 13086957
[(Z)-octadec-13-enyl] acetate
CID 5363293
[(Z)-tridec-8-enyl] acetate
CID 10014538

Frequently Asked Questions

What is the IUPAC name of [(E)-8-iodooct-7-enyl] acetate?
The IUPAC name of [(E)-8-iodooct-7-enyl] acetate (CID 14157625) is [(E)-8-iodooct-7-enyl] acetate.
What is the SMILES notation for [(E)-8-iodooct-7-enyl] acetate?
The canonical SMILES for [(E)-8-iodooct-7-enyl] acetate is CC(=O)OCCCCCC/C=C/I.
What is the InChIKey of [(E)-8-iodooct-7-enyl] acetate?
The InChIKey is NBFHWVZFXCGAGZ-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H17IO2/c1-10(12)13-9-7-5-3-2-4-6-8-11/h6,8H,2-5,7,9H2,1H3/b8-6+.
What are the key properties of [(E)-8-iodooct-7-enyl] acetate?
[(E)-8-iodooct-7-enyl] acetate has a molecular weight of 296.15 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-8-iodooct-7-enyl] acetate is sourced from PubChem (CID 14157625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).