8-iodooct-1-en-7-yne

C8H11I — CID 15877507

IUPAC8-iodooct-1-en-7-yne
SMILESC=CCCCCC#CI
InChIInChI=1S/C8H11I/c1-2-3-4-5-6-7-8-9/h2H,1,3-6H2
InChIKeyXRXMZDAYCQOCIQ-UHFFFAOYSA-N
MW234.08 g/mol
LogP3.13
Rot. Bonds4

About 8-iodooct-1-en-7-yne

8-iodooct-1-en-7-yne (PubChem CID 15877507) has the molecular formula C8H11I and a molecular weight of 234.08 g/mol. Its IUPAC name is 8-iodooct-1-en-7-yne.

Molecular Properties

Compound Name8-iodooct-1-en-7-yne
PubChem CID15877507
Molecular FormulaC8H11I
Molecular Weight234.08 g/mol
Exact Mass233.99
IUPAC Name8-iodooct-1-en-7-yne
SMILESC=CCCCCC#CI
InChIInChI=1S/C8H11I/c1-2-3-4-5-6-7-8-9/h2H,1,3-6H2
InChIKeyXRXMZDAYCQOCIQ-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 53.13
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-Octen-7-yne
CID 524956
8-Iodooct-1-ene
CID 13889810
Dec-9-en-1,3-diyne
CID 56837277
(5Z)-5-(iodomethylidene)oct-1-en-6-yne
CID 15778096
Non-1-en-7-yne
CID 12418811
7-Iodohept-1-en-6-yne
CID 90091460
(1E,7E)-1,8-diiodoocta-1,7-diene
CID 10926523
8-Deuteriooct-1-en-7-yne
CID 12418803
6-Deuteriooct-1-en-7-yne
CID 12418804
10-Iododec-1-en-6-yne
CID 14041165
(1E)-1-iodoocta-1,7-diene
CID 87992839
Tetradeca-1,13-dien-7-yne
CID 135073072

Frequently Asked Questions

What is the IUPAC name of 8-iodooct-1-en-7-yne?
The IUPAC name of 8-iodooct-1-en-7-yne (CID 15877507) is 8-iodooct-1-en-7-yne.
What is the SMILES notation for 8-iodooct-1-en-7-yne?
The canonical SMILES for 8-iodooct-1-en-7-yne is C=CCCCCC#CI.
What is the InChIKey of 8-iodooct-1-en-7-yne?
The InChIKey is XRXMZDAYCQOCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11I/c1-2-3-4-5-6-7-8-9/h2H,1,3-6H2.
What are the key properties of 8-iodooct-1-en-7-yne?
8-iodooct-1-en-7-yne has a molecular weight of 234.08 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodooct-1-en-7-yne is sourced from PubChem (CID 15877507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).