5-iodotridec-5-en-4-ol

C13H25IO — CID 141095237

IUPAC5-iodotridec-5-en-4-ol
SMILESCCCCCCCC=C(I)C(O)CCC
InChIInChI=1S/C13H25IO/c1-3-5-6-7-8-9-11-12(14)13(15)10-4-2/h11,13,15H,3-10H2,1-2H3
InChIKeyIDJNNOUVENOUDC-UHFFFAOYSA-N
MW324.25 g/mol
LogP4.83
Rot. Bonds9

About 5-iodotridec-5-en-4-ol

5-iodotridec-5-en-4-ol (PubChem CID 141095237) has the molecular formula C13H25IO and a molecular weight of 324.25 g/mol. Its IUPAC name is 5-iodotridec-5-en-4-ol.

Molecular Properties

Compound Name5-iodotridec-5-en-4-ol
PubChem CID141095237
Molecular FormulaC13H25IO
Molecular Weight324.25 g/mol
Exact Mass324.10
IUPAC Name5-iodotridec-5-en-4-ol
SMILESCCCCCCCC=C(I)C(O)CCC
InChIInChI=1S/C13H25IO/c1-3-5-6-7-8-9-11-12(14)13(15)10-4-2/h11,13,15H,3-10H2,1-2H3
InChIKeyIDJNNOUVENOUDC-UHFFFAOYSA-N
XLogP4.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1,1-diiodonon-1-ene
CID 141002826
(E)-2-iodonon-2-ene
CID 10444893
8-fluorotetradec-8-en-7-ol
CID 173237249
(E,3R)-5-iodo-2-methylhexadec-5-en-3-ol
CID 101378954
methyl 2-(1-hydroxy-2-oxopropyl)heptacos-2-enoate
CID 75068995
methyl (E)-2-[(1S)-1-hydroxy-2-oxopropyl]heptacos-2-enoate
CID 162998693
methyl 2-(1-hydroxy-2-oxopropyl)dodec-2-enoate
CID 72952508
1-ethoxy-1-iodooct-1-ene
CID 173444253
undec-1-ene-1,1-diol
CID 87556705
3-propyldodec-3-en-2-ol
CID 71375191
(E)-oct-2-en-2-amine
CID 87259480
2-methylhenicos-2-ene;dihydrobromide
CID 175068359

Frequently Asked Questions

What is the IUPAC name of 5-iodotridec-5-en-4-ol?
The IUPAC name of 5-iodotridec-5-en-4-ol (CID 141095237) is 5-iodotridec-5-en-4-ol.
What is the SMILES notation for 5-iodotridec-5-en-4-ol?
The canonical SMILES for 5-iodotridec-5-en-4-ol is CCCCCCCC=C(I)C(O)CCC.
What is the InChIKey of 5-iodotridec-5-en-4-ol?
The InChIKey is IDJNNOUVENOUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25IO/c1-3-5-6-7-8-9-11-12(14)13(15)10-4-2/h11,13,15H,3-10H2,1-2H3.
What are the key properties of 5-iodotridec-5-en-4-ol?
5-iodotridec-5-en-4-ol has a molecular weight of 324.25 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodotridec-5-en-4-ol is sourced from PubChem (CID 141095237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).