(E)-1-iodoheptadec-8-ene

C17H33I — CID 118861241

IUPAC(E)-1-iodoheptadec-8-ene
SMILESCCCCCCCC/C=C/CCCCCCCI
InChIInChI=1S/C17H33I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h9-10H,2-8,11-17H2,1H3/b10-9+
InChIKeyRMAYSOUDKQUNKG-MDZDMXLPSA-N
MW364.36 g/mol
LogP7.07
Rot. Bonds14

About (E)-1-iodoheptadec-8-ene

(E)-1-iodoheptadec-8-ene (PubChem CID 118861241) has the molecular formula C17H33I and a molecular weight of 364.36 g/mol. Its IUPAC name is (E)-1-iodoheptadec-8-ene.

Molecular Properties

Compound Name(E)-1-iodoheptadec-8-ene
PubChem CID118861241
Molecular FormulaC17H33I
Molecular Weight364.36 g/mol
Exact Mass364.16
IUPAC Name(E)-1-iodoheptadec-8-ene
SMILESCCCCCCCC/C=C/CCCCCCCI
InChIInChI=1S/C17H33I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h9-10H,2-8,11-17H2,1H3/b10-9+
InChIKeyRMAYSOUDKQUNKG-MDZDMXLPSA-N
XLogP7.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.36
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-iodooctadec-9-ene
CID 54335448
18-iodooctadeca-6,9-diene
CID 54451321
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239

Frequently Asked Questions

What is the IUPAC name of (E)-1-iodoheptadec-8-ene?
The IUPAC name of (E)-1-iodoheptadec-8-ene (CID 118861241) is (E)-1-iodoheptadec-8-ene.
What is the SMILES notation for (E)-1-iodoheptadec-8-ene?
The canonical SMILES for (E)-1-iodoheptadec-8-ene is CCCCCCCC/C=C/CCCCCCCI.
What is the InChIKey of (E)-1-iodoheptadec-8-ene?
The InChIKey is RMAYSOUDKQUNKG-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H33I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h9-10H,2-8,11-17H2,1H3/b10-9+.
What are the key properties of (E)-1-iodoheptadec-8-ene?
(E)-1-iodoheptadec-8-ene has a molecular weight of 364.36 g/mol, XLogP of 7.07, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-iodoheptadec-8-ene is sourced from PubChem (CID 118861241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).