4-ethyl-1-iodo-5-methylhexane

C9H19I — CID 118326959

IUPAC4-ethyl-1-iodo-5-methylhexane
SMILESCCC(CCCI)C(C)C
InChIInChI=1S/C9H19I/c1-4-9(8(2)3)6-5-7-10/h8-9H,4-7H2,1-3H3
InChIKeySFPYJESMJIEUQU-UHFFFAOYSA-N
MW254.15 g/mol
LogP3.88
Rot. Bonds5

About 4-ethyl-1-iodo-5-methylhexane

4-ethyl-1-iodo-5-methylhexane (PubChem CID 118326959) has the molecular formula C9H19I and a molecular weight of 254.15 g/mol. Its IUPAC name is 4-ethyl-1-iodo-5-methylhexane.

Molecular Properties

Compound Name4-ethyl-1-iodo-5-methylhexane
PubChem CID118326959
Molecular FormulaC9H19I
Molecular Weight254.15 g/mol
Exact Mass254.05
IUPAC Name4-ethyl-1-iodo-5-methylhexane
SMILESCCC(CCCI)C(C)C
InChIInChI=1S/C9H19I/c1-4-9(8(2)3)6-5-7-10/h8-9H,4-7H2,1-3H3
InChIKeySFPYJESMJIEUQU-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3R)-3-ethyl-2-methylheptane
CID 166461427
4-ethyl-5-methylhexan-1-ol
CID 87192920
3-ethyl-2-methyl-7-propan-2-yldecane
CID 58999360
5-ethyl-6-methylheptan-1-ol
CID 91402591
(3R)-3-ethyl-2-methylhexane
CID 59954424
4-ethyl-N,N,5-trimethylhexan-1-amine
CID 91536277
7-ethyl-N,8-dimethylnonan-2-amine
CID 91399919
N-butan-2-yl-4-ethyl-5-methyl-N-propylhexan-1-amine
CID 174327500
3-ethyl-1-ethylsulfanyl-4-methylpentane
CID 167199867
7-ethyl-2,3,4,8-tetramethylnonane
CID 123811114
3-ethyl-2,6,9-trimethyldecane
CID 91256736
(E)-6-ethyl-N,7-dimethyloct-1-en-1-amine
CID 170364927

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-iodo-5-methylhexane?
The IUPAC name of 4-ethyl-1-iodo-5-methylhexane (CID 118326959) is 4-ethyl-1-iodo-5-methylhexane.
What is the SMILES notation for 4-ethyl-1-iodo-5-methylhexane?
The canonical SMILES for 4-ethyl-1-iodo-5-methylhexane is CCC(CCCI)C(C)C.
What is the InChIKey of 4-ethyl-1-iodo-5-methylhexane?
The InChIKey is SFPYJESMJIEUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19I/c1-4-9(8(2)3)6-5-7-10/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-ethyl-1-iodo-5-methylhexane?
4-ethyl-1-iodo-5-methylhexane has a molecular weight of 254.15 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-iodo-5-methylhexane is sourced from PubChem (CID 118326959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).