10-iododec-1-en-6-yne

C10H15I — CID 14041165

IUPAC10-iododec-1-en-6-yne
SMILESC=CCCCC#CCCCI
InChIInChI=1S/C10H15I/c1-2-3-4-5-6-7-8-9-10-11/h2H,1,3-5,8-10H2
InChIKeyBTKZLMVKUZTXJJ-UHFFFAOYSA-N
MW262.13 g/mol
LogP3.56
Rot. Bonds5

About 10-iododec-1-en-6-yne

10-iododec-1-en-6-yne (PubChem CID 14041165) has the molecular formula C10H15I and a molecular weight of 262.13 g/mol. Its IUPAC name is 10-iododec-1-en-6-yne.

Molecular Properties

Compound Name10-iododec-1-en-6-yne
PubChem CID14041165
Molecular FormulaC10H15I
Molecular Weight262.13 g/mol
Exact Mass262.02
IUPAC Name10-iododec-1-en-6-yne
SMILESC=CCCCC#CCCCI
InChIInChI=1S/C10H15I/c1-2-3-4-5-6-7-8-9-10-11/h2H,1,3-5,8-10H2
InChIKeyBTKZLMVKUZTXJJ-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.13
LogP ≤ 53.56
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-(iodomethylidene)oct-1-en-6-yne
CID 15778096
7-Iodohept-1-en-6-yne
CID 90091460
4-Iodotridec-1-en-8-yne
CID 135074328
Nona-1,8-dien-3-yne
CID 154719771
8-Iodooct-1-en-4-yne
CID 125482502
6-Iodohex-1-en-5-yne
CID 173276021
8-Iodooct-1-en-7-yne
CID 15877507
(E)-1-iododec-1-en-9-yne
CID 125482458

Frequently Asked Questions

What is the IUPAC name of 10-iododec-1-en-6-yne?
The IUPAC name of 10-iododec-1-en-6-yne (CID 14041165) is 10-iododec-1-en-6-yne.
What is the SMILES notation for 10-iododec-1-en-6-yne?
The canonical SMILES for 10-iododec-1-en-6-yne is C=CCCCC#CCCCI.
What is the InChIKey of 10-iododec-1-en-6-yne?
The InChIKey is BTKZLMVKUZTXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15I/c1-2-3-4-5-6-7-8-9-10-11/h2H,1,3-5,8-10H2.
What are the key properties of 10-iododec-1-en-6-yne?
10-iododec-1-en-6-yne has a molecular weight of 262.13 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-iododec-1-en-6-yne is sourced from PubChem (CID 14041165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).