1-iodonon-1-en-3-yne

C9H13I — CID 71425479

IUPAC1-iodonon-1-en-3-yne
SMILESCCCCCC#CC=CI
InChIInChI=1S/C9H13I/c1-2-3-4-5-6-7-8-9-10/h8-9H,2-5H2,1H3
InChIKeyRZIWREKZDVYQJY-UHFFFAOYSA-N
MW248.11 g/mol
LogP3.52
Rot. Bonds3

About 1-iodonon-1-en-3-yne

1-iodonon-1-en-3-yne (PubChem CID 71425479) has the molecular formula C9H13I and a molecular weight of 248.11 g/mol. Its IUPAC name is 1-iodonon-1-en-3-yne.

Molecular Properties

Compound Name1-iodonon-1-en-3-yne
PubChem CID71425479
Molecular FormulaC9H13I
Molecular Weight248.11 g/mol
Exact Mass248.01
IUPAC Name1-iodonon-1-en-3-yne
SMILESCCCCCC#CC=CI
InChIInChI=1S/C9H13I/c1-2-3-4-5-6-7-8-9-10/h8-9H,2-5H2,1H3
InChIKeyRZIWREKZDVYQJY-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 53.52
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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Related Compounds

(Z)-1-chlorodec-1-en-3-yne
CID 124646971
dec-2-en-4-yne
CID 54142868
(E)-undec-3-en-5-yne
CID 5367449
(Z)-tetradec-6-en-4,8-diyn-1-ol
CID 100971906
(Z)-heptadec-3-en-5-yne
CID 5367448
(Z)-heptadec-8-en-6-yne
CID 101260338
(3Z)-2-methylundeca-1,3-dien-5-yne
CID 102067427
(E)-non-2-en-4-yne
CID 5367387
(Z)-1-butylsulfanyldec-1-en-3-yne
CID 102456339
ethyl (E)-tridec-4-en-2,6-diynoate
CID 134989248
(E)-tridec-4-en-6-yn-1-ol
CID 15420486
henicos-8-yne
CID 22224321

Frequently Asked Questions

What is the IUPAC name of 1-iodonon-1-en-3-yne?
The IUPAC name of 1-iodonon-1-en-3-yne (CID 71425479) is 1-iodonon-1-en-3-yne.
What is the SMILES notation for 1-iodonon-1-en-3-yne?
The canonical SMILES for 1-iodonon-1-en-3-yne is CCCCCC#CC=CI.
What is the InChIKey of 1-iodonon-1-en-3-yne?
The InChIKey is RZIWREKZDVYQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13I/c1-2-3-4-5-6-7-8-9-10/h8-9H,2-5H2,1H3.
What are the key properties of 1-iodonon-1-en-3-yne?
1-iodonon-1-en-3-yne has a molecular weight of 248.11 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodonon-1-en-3-yne is sourced from PubChem (CID 71425479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).