5-ethyl-2-iodononan-4-ol

C11H23IO — CID 118984335

IUPAC5-ethyl-2-iodononan-4-ol
SMILESCCCCC(CC)C(O)CC(C)I
InChIInChI=1S/C11H23IO/c1-4-6-7-10(5-2)11(13)8-9(3)12/h9-11,13H,4-8H2,1-3H3
InChIKeyBPBKJNSEKXEQJT-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.78
Rot. Bonds7

About 5-ethyl-2-iodononan-4-ol

5-ethyl-2-iodononan-4-ol (PubChem CID 118984335) has the molecular formula C11H23IO and a molecular weight of 298.21 g/mol. Its IUPAC name is 5-ethyl-2-iodononan-4-ol.

Molecular Properties

Compound Name5-ethyl-2-iodononan-4-ol
PubChem CID118984335
Molecular FormulaC11H23IO
Molecular Weight298.21 g/mol
Exact Mass298.08
IUPAC Name5-ethyl-2-iodononan-4-ol
SMILESCCCCC(CC)C(O)CC(C)I
InChIInChI=1S/C11H23IO/c1-4-6-7-10(5-2)11(13)8-9(3)12/h9-11,13H,4-8H2,1-3H3
InChIKeyBPBKJNSEKXEQJT-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-ethyl-2-methylundecan-6-ol
CID 115829942
4-ethyloctane-1,3-diol
CID 57022453
4-ethylnonan-3-ol
CID 135150430
5,7-diethylundecan-6-ol
CID 89253066
4,7-diethyldodecan-6-ol
CID 545879
3-ethyl-1-propan-2-yloxyheptan-2-ol
CID 115821475
7-ethylpentadecan-8-ol
CID 91407819
6-ethyloctadecan-7-ol
CID 22321194
3-ethyl-1-propoxyheptan-2-ol
CID 115818893
1-cyclopropyl-3-ethylheptan-2-ol
CID 115804014
ethane;(3R)-3-ethyl-2-methylheptane
CID 166461427
5-butylnonan-4-ol
CID 173066814

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-iodononan-4-ol?
The IUPAC name of 5-ethyl-2-iodononan-4-ol (CID 118984335) is 5-ethyl-2-iodononan-4-ol.
What is the SMILES notation for 5-ethyl-2-iodononan-4-ol?
The canonical SMILES for 5-ethyl-2-iodononan-4-ol is CCCCC(CC)C(O)CC(C)I.
What is the InChIKey of 5-ethyl-2-iodononan-4-ol?
The InChIKey is BPBKJNSEKXEQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23IO/c1-4-6-7-10(5-2)11(13)8-9(3)12/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 5-ethyl-2-iodononan-4-ol?
5-ethyl-2-iodononan-4-ol has a molecular weight of 298.21 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-iodononan-4-ol is sourced from PubChem (CID 118984335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).