2-ethoxy-1-iododecane

C12H25IO — CID 13149348

IUPAC2-ethoxy-1-iododecane
SMILESCCCCCCCCC(CI)OCC
InChIInChI=1S/C12H25IO/c1-3-5-6-7-8-9-10-12(11-13)14-4-2/h12H,3-11H2,1-2H3
InChIKeyUJZGOOSCYYTPFS-UHFFFAOYSA-N
MW312.24 g/mol
LogP4.58
Rot. Bonds10

About 2-ethoxy-1-iododecane

2-ethoxy-1-iododecane (PubChem CID 13149348) has the molecular formula C12H25IO and a molecular weight of 312.24 g/mol. Its IUPAC name is 2-ethoxy-1-iododecane.

Molecular Properties

Compound Name2-ethoxy-1-iododecane
PubChem CID13149348
Molecular FormulaC12H25IO
Molecular Weight312.24 g/mol
Exact Mass312.10
IUPAC Name2-ethoxy-1-iododecane
SMILESCCCCCCCCC(CI)OCC
InChIInChI=1S/C12H25IO/c1-3-5-6-7-8-9-10-12(11-13)14-4-2/h12H,3-11H2,1-2H3
InChIKeyUJZGOOSCYYTPFS-UHFFFAOYSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 54.58
H-Bond Donors ≤ 50
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

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CID 87148376
(3S)-1,1,3-triethoxynonane
CID 3084722
2-ethoxy-N-(2-ethoxydecyl)decan-1-amine
CID 155672905
5-ethoxynonane
CID 91187482
1,4-diethoxydecane
CID 140997951
4-ethoxytridecan-2-one
CID 89225856
4-ethoxydodecane;sulfuric acid
CID 87841741
1-iodo-2-(1-iodohexan-2-yloxy)hexane
CID 89313125
1,6-diethoxydecane
CID 150917298
16-tetratriacontan-16-yloxytetratriacontane
CID 91150918
6-tricosan-6-yloxytricosane
CID 57279617
2-ethoxytridecane
CID 54143367

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-iododecane?
The IUPAC name of 2-ethoxy-1-iododecane (CID 13149348) is 2-ethoxy-1-iododecane.
What is the SMILES notation for 2-ethoxy-1-iododecane?
The canonical SMILES for 2-ethoxy-1-iododecane is CCCCCCCCC(CI)OCC.
What is the InChIKey of 2-ethoxy-1-iododecane?
The InChIKey is UJZGOOSCYYTPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25IO/c1-3-5-6-7-8-9-10-12(11-13)14-4-2/h12H,3-11H2,1-2H3.
What are the key properties of 2-ethoxy-1-iododecane?
2-ethoxy-1-iododecane has a molecular weight of 312.24 g/mol, XLogP of 4.58, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-iododecane is sourced from PubChem (CID 13149348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).