1-iodohexacosan-1-ol

C26H53IO — CID 87167039

IUPAC1-iodohexacosan-1-ol
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(O)I
InChIInChI=1S/C26H53IO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h26,28H,2-25H2,1H3
InChIKeyJIBOPSWDQFMOOG-UHFFFAOYSA-N
MW508.61 g/mol
LogP10.12
Rot. Bonds24

About 1-iodohexacosan-1-ol

1-iodohexacosan-1-ol (PubChem CID 87167039) has the molecular formula C26H53IO and a molecular weight of 508.61 g/mol. Its IUPAC name is 1-iodohexacosan-1-ol.

Molecular Properties

Compound Name1-iodohexacosan-1-ol
PubChem CID87167039
Molecular FormulaC26H53IO
Molecular Weight508.61 g/mol
Exact Mass508.31
IUPAC Name1-iodohexacosan-1-ol
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(O)I
InChIInChI=1S/C26H53IO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h26,28H,2-25H2,1H3
InChIKeyJIBOPSWDQFMOOG-UHFFFAOYSA-N
XLogP10.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.61
LogP ≤ 510.12
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'}

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Related Compounds

decane;dodecane-1,1-diol
CID 162011285
nonacosane-7,20-diol
CID 174949468
6-iodododecane
CID 19090932
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
(7R)-hexatriacontan-7-ol
CID 88529159
7-iodotetradecane
CID 87229248
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
heptane-1,1-diol;hexane-1,1-diol
CID 161393558
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705

Frequently Asked Questions

What is the IUPAC name of 1-iodohexacosan-1-ol?
The IUPAC name of 1-iodohexacosan-1-ol (CID 87167039) is 1-iodohexacosan-1-ol.
What is the SMILES notation for 1-iodohexacosan-1-ol?
The canonical SMILES for 1-iodohexacosan-1-ol is CCCCCCCCCCCCCCCCCCCCCCCCCC(O)I.
What is the InChIKey of 1-iodohexacosan-1-ol?
The InChIKey is JIBOPSWDQFMOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53IO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h26,28H,2-25H2,1H3.
What are the key properties of 1-iodohexacosan-1-ol?
1-iodohexacosan-1-ol has a molecular weight of 508.61 g/mol, XLogP of 10.12, 24 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodohexacosan-1-ol is sourced from PubChem (CID 87167039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).