6-ethyl-5-iodohexadec-5-en-7-yne

C18H31I — CID 71425484

IUPAC6-ethyl-5-iodohexadec-5-en-7-yne
SMILESCCCCCCCCC#CC(CC)=C(I)CCCC
InChIInChI=1S/C18H31I/c1-4-7-9-10-11-12-13-14-15-17(6-3)18(19)16-8-5-2/h4-13,16H2,1-3H3
InChIKeyDUDRKZNZRRTGNF-UHFFFAOYSA-N
MW374.35 g/mol
LogP7.03
Rot. Bonds10

About 6-ethyl-5-iodohexadec-5-en-7-yne

6-ethyl-5-iodohexadec-5-en-7-yne (PubChem CID 71425484) has the molecular formula C18H31I and a molecular weight of 374.35 g/mol. Its IUPAC name is 6-ethyl-5-iodohexadec-5-en-7-yne.

Molecular Properties

Compound Name6-ethyl-5-iodohexadec-5-en-7-yne
PubChem CID71425484
Molecular FormulaC18H31I
Molecular Weight374.35 g/mol
Exact Mass374.15
IUPAC Name6-ethyl-5-iodohexadec-5-en-7-yne
SMILESCCCCCCCCC#CC(CC)=C(I)CCCC
InChIInChI=1S/C18H31I/c1-4-7-9-10-11-12-13-14-15-17(6-3)18(19)16-8-5-2/h4-13,16H2,1-3H3
InChIKeyDUDRKZNZRRTGNF-UHFFFAOYSA-N
XLogP7.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.35
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-iodohexadec-5-en-7-yne?
The IUPAC name of 6-ethyl-5-iodohexadec-5-en-7-yne (CID 71425484) is 6-ethyl-5-iodohexadec-5-en-7-yne.
What is the SMILES notation for 6-ethyl-5-iodohexadec-5-en-7-yne?
The canonical SMILES for 6-ethyl-5-iodohexadec-5-en-7-yne is CCCCCCCCC#CC(CC)=C(I)CCCC.
What is the InChIKey of 6-ethyl-5-iodohexadec-5-en-7-yne?
The InChIKey is DUDRKZNZRRTGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31I/c1-4-7-9-10-11-12-13-14-15-17(6-3)18(19)16-8-5-2/h4-13,16H2,1-3H3.
What are the key properties of 6-ethyl-5-iodohexadec-5-en-7-yne?
6-ethyl-5-iodohexadec-5-en-7-yne has a molecular weight of 374.35 g/mol, XLogP of 7.03, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-iodohexadec-5-en-7-yne is sourced from PubChem (CID 71425484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).