(E)-1-iododec-1-en-9-yne

C10H15I — CID 125482458

IUPAC(E)-1-iododec-1-en-9-yne
SMILESC#CCCCCCC/C=C/I
InChIInChI=1S/C10H15I/c1-2-3-4-5-6-7-8-9-10-11/h1,9-10H,3-8H2/b10-9+
InChIKeyNGJFIWTYGJQEOY-MDZDMXLPSA-N
MW262.13 g/mol
LogP3.91
Rot. Bonds6

About (E)-1-iododec-1-en-9-yne

(E)-1-iododec-1-en-9-yne (PubChem CID 125482458) has the molecular formula C10H15I and a molecular weight of 262.13 g/mol. Its IUPAC name is (E)-1-iododec-1-en-9-yne.

Molecular Properties

Compound Name(E)-1-iododec-1-en-9-yne
PubChem CID125482458
Molecular FormulaC10H15I
Molecular Weight262.13 g/mol
Exact Mass262.02
IUPAC Name(E)-1-iododec-1-en-9-yne
SMILESC#CCCCCCC/C=C/I
InChIInChI=1S/C10H15I/c1-2-3-4-5-6-7-8-9-10-11/h1,9-10H,3-8H2/b10-9+
InChIKeyNGJFIWTYGJQEOY-MDZDMXLPSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.13
LogP ≤ 53.91
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

Non-1-en-8-yne
CID 11513743
1-Dodecen-11-yne
CID 10997389
Tridec-1-en-12-yne
CID 11019432
10-Iododec-1-en-6-yne
CID 14041165
4-Iodotridec-1-en-8-yne
CID 135074328
Tridec-12-en-1,3-diyne
CID 102185514
Undec-1-en-10-yne
CID 11137344
Dec-1-en-9-yne
CID 21866964
8-Iodooct-1-en-7-yne
CID 15877507

Frequently Asked Questions

What is the IUPAC name of (E)-1-iododec-1-en-9-yne?
The IUPAC name of (E)-1-iododec-1-en-9-yne (CID 125482458) is (E)-1-iododec-1-en-9-yne.
What is the SMILES notation for (E)-1-iododec-1-en-9-yne?
The canonical SMILES for (E)-1-iododec-1-en-9-yne is C#CCCCCCC/C=C/I.
What is the InChIKey of (E)-1-iododec-1-en-9-yne?
The InChIKey is NGJFIWTYGJQEOY-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H15I/c1-2-3-4-5-6-7-8-9-10-11/h1,9-10H,3-8H2/b10-9+.
What are the key properties of (E)-1-iododec-1-en-9-yne?
(E)-1-iododec-1-en-9-yne has a molecular weight of 262.13 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-iododec-1-en-9-yne is sourced from PubChem (CID 125482458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).