1-iodoundec-1-yne

C11H19I — CID 22678053

IUPAC1-iodoundec-1-yne
SMILESCCCCCCCCCC#CI
InChIInChI=1S/C11H19I/c1-2-3-4-5-6-7-8-9-10-11-12/h2-9H2,1H3
InChIKeyTVJKJGQNNVTIMY-UHFFFAOYSA-N
MW278.18 g/mol
LogP4.52
Rot. Bonds7

About 1-iodoundec-1-yne

1-iodoundec-1-yne (PubChem CID 22678053) has the molecular formula C11H19I and a molecular weight of 278.18 g/mol. Its IUPAC name is 1-iodoundec-1-yne.

Molecular Properties

Compound Name1-iodoundec-1-yne
PubChem CID22678053
Molecular FormulaC11H19I
Molecular Weight278.18 g/mol
Exact Mass278.05
IUPAC Name1-iodoundec-1-yne
SMILESCCCCCCCCCC#CI
InChIInChI=1S/C11H19I/c1-2-3-4-5-6-7-8-9-10-11-12/h2-9H2,1H3
InChIKeyTVJKJGQNNVTIMY-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 54.52
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

1-iodoicos-1-yne
CID 138490318
henicos-8-yne
CID 22224321
1-iodonona-1,3-diyne
CID 11806932
hex-1-yne;1-iodohex-1-yne
CID 162160797
nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888
15-iodopentadec-7-yne
CID 10496912
hexadeca-3,9-diyne
CID 54568863
hexacos-3-yne
CID 22223851
tetraconta-15,17,19,21,23,25-hexayne
CID 71342927
N,N-dimethyldodec-1-yn-1-amine
CID 175777184
dec-1-ynylstibane
CID 173085058

Frequently Asked Questions

What is the IUPAC name of 1-iodoundec-1-yne?
The IUPAC name of 1-iodoundec-1-yne (CID 22678053) is 1-iodoundec-1-yne.
What is the SMILES notation for 1-iodoundec-1-yne?
The canonical SMILES for 1-iodoundec-1-yne is CCCCCCCCCC#CI.
What is the InChIKey of 1-iodoundec-1-yne?
The InChIKey is TVJKJGQNNVTIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19I/c1-2-3-4-5-6-7-8-9-10-11-12/h2-9H2,1H3.
What are the key properties of 1-iodoundec-1-yne?
1-iodoundec-1-yne has a molecular weight of 278.18 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodoundec-1-yne is sourced from PubChem (CID 22678053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).