4-ethyl-1-iodooct-1-yn-3-ol

C10H17IO — CID 88753955

IUPAC4-ethyl-1-iodooct-1-yn-3-ol
SMILESCCCCC(CC)C(O)C#CI
InChIInChI=1S/C10H17IO/c1-3-5-6-9(4-2)10(12)7-8-11/h9-10,12H,3-6H2,1-2H3
InChIKeyKRYXGPJVQJPMMB-UHFFFAOYSA-N
MW280.15 g/mol
LogP2.96
Rot. Bonds5

About 4-ethyl-1-iodooct-1-yn-3-ol

4-ethyl-1-iodooct-1-yn-3-ol (PubChem CID 88753955) has the molecular formula C10H17IO and a molecular weight of 280.15 g/mol. Its IUPAC name is 4-ethyl-1-iodooct-1-yn-3-ol.

Molecular Properties

Compound Name4-ethyl-1-iodooct-1-yn-3-ol
PubChem CID88753955
Molecular FormulaC10H17IO
Molecular Weight280.15 g/mol
Exact Mass280.03
IUPAC Name4-ethyl-1-iodooct-1-yn-3-ol
SMILESCCCCC(CC)C(O)C#CI
InChIInChI=1S/C10H17IO/c1-3-5-6-9(4-2)10(12)7-8-11/h9-10,12H,3-6H2,1-2H3
InChIKeyKRYXGPJVQJPMMB-UHFFFAOYSA-N
XLogP2.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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3-ethyldec-5-yn-4-ol
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4-ethyl-1-thiophen-2-yloct-1-yn-3-ol
CID 146003764
CID 172720711
CID 172720711
4,5-diethylnonane
CID 21188862
2-ethylheptane-1,1-diol
CID 54525502
1-(3-chloro-2-methylphenyl)-4-ethyloct-1-yn-3-ol
CID 146002911
4-ethyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]oct-1-yn-3-ol
CID 146002741
5-ethyl-2-iodononan-4-ol
CID 118984335
3-ethyl-1-propoxyheptan-2-ol
CID 115818893
4-ethyloctane-1,3-diol
CID 57022453
3-(dibromomethyl)heptane
CID 87164380

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-iodooct-1-yn-3-ol?
The IUPAC name of 4-ethyl-1-iodooct-1-yn-3-ol (CID 88753955) is 4-ethyl-1-iodooct-1-yn-3-ol.
What is the SMILES notation for 4-ethyl-1-iodooct-1-yn-3-ol?
The canonical SMILES for 4-ethyl-1-iodooct-1-yn-3-ol is CCCCC(CC)C(O)C#CI.
What is the InChIKey of 4-ethyl-1-iodooct-1-yn-3-ol?
The InChIKey is KRYXGPJVQJPMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IO/c1-3-5-6-9(4-2)10(12)7-8-11/h9-10,12H,3-6H2,1-2H3.
What are the key properties of 4-ethyl-1-iodooct-1-yn-3-ol?
4-ethyl-1-iodooct-1-yn-3-ol has a molecular weight of 280.15 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-iodooct-1-yn-3-ol is sourced from PubChem (CID 88753955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).