1-iodoundec-10-yn-1-ol

C11H19IO — CID 87638257

IUPAC1-iodoundec-10-yn-1-ol
SMILESC#CCCCCCCCCC(O)I
InChIInChI=1S/C11H19IO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h1,11,13H,3-10H2
InChIKeyNVKVSWAHNKRWDI-UHFFFAOYSA-N
MW294.18 g/mol
LogP3.49
Rot. Bonds8

About 1-iodoundec-10-yn-1-ol

1-iodoundec-10-yn-1-ol (PubChem CID 87638257) has the molecular formula C11H19IO and a molecular weight of 294.18 g/mol. Its IUPAC name is 1-iodoundec-10-yn-1-ol.

Molecular Properties

Compound Name1-iodoundec-10-yn-1-ol
PubChem CID87638257
Molecular FormulaC11H19IO
Molecular Weight294.18 g/mol
Exact Mass294.05
IUPAC Name1-iodoundec-10-yn-1-ol
SMILESC#CCCCCCCCCC(O)I
InChIInChI=1S/C11H19IO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h1,11,13H,3-10H2
InChIKeyNVKVSWAHNKRWDI-UHFFFAOYSA-N
XLogP3.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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1-iodohexacosan-1-ol
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CID 10922615
2-bromooctadec-17-ynoic acid
CID 102493434
dec-9-yn-4-amine
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(5S,6S)-hexadec-1-yne-5,6-diol
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Frequently Asked Questions

What is the IUPAC name of 1-iodoundec-10-yn-1-ol?
The IUPAC name of 1-iodoundec-10-yn-1-ol (CID 87638257) is 1-iodoundec-10-yn-1-ol.
What is the SMILES notation for 1-iodoundec-10-yn-1-ol?
The canonical SMILES for 1-iodoundec-10-yn-1-ol is C#CCCCCCCCCC(O)I.
What is the InChIKey of 1-iodoundec-10-yn-1-ol?
The InChIKey is NVKVSWAHNKRWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19IO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h1,11,13H,3-10H2.
What are the key properties of 1-iodoundec-10-yn-1-ol?
1-iodoundec-10-yn-1-ol has a molecular weight of 294.18 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodoundec-10-yn-1-ol is sourced from PubChem (CID 87638257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).