3-ethyl-4-iodohex-3-ene

C8H15I — CID 86173719

IUPAC3-ethyl-4-iodohex-3-ene
SMILESCCC(I)=C(CC)CC
InChIInChI=1S/C8H15I/c1-4-7(5-2)8(9)6-3/h4-6H2,1-3H3
InChIKeyBLQUAYYZHFTCGU-UHFFFAOYSA-N
MW238.11 g/mol
LogP3.91
Rot. Bonds3

About 3-ethyl-4-iodohex-3-ene

3-ethyl-4-iodohex-3-ene (PubChem CID 86173719) has the molecular formula C8H15I and a molecular weight of 238.11 g/mol. Its IUPAC name is 3-ethyl-4-iodohex-3-ene.

Molecular Properties

Compound Name3-ethyl-4-iodohex-3-ene
PubChem CID86173719
Molecular FormulaC8H15I
Molecular Weight238.11 g/mol
Exact Mass238.02
IUPAC Name3-ethyl-4-iodohex-3-ene
SMILESCCC(I)=C(CC)CC
InChIInChI=1S/C8H15I/c1-4-7(5-2)8(9)6-3/h4-6H2,1-3H3
InChIKeyBLQUAYYZHFTCGU-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.11
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Cyclobutene, 1-iodo-2-methyl-
CID 10888804
2-Heptene, 6-iodo-2-methyl-
CID 11085819
(1E)-1-iodo-2,6-dimethyl-1,5-heptadiene
CID 11357128
4-Iodo-5-(2-iodoethyl)oct-4-ene
CID 73118559
(6R)-2-ethyl-4-fluoro-3,6-dimethyl-1lambda3-iodacyclohexa-1,3-diene
CID 143551142
3-Iodo-2,4-dimethylpent-2-ene
CID 12704924
5-Iodo-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 21630359
(E)-3-ethyl-1-iodohex-3-ene
CID 134902377
(6S)-6-iodo-2-methylhept-2-ene
CID 154715893
5-Iodo-2,3-dimethylpent-2-ene
CID 10537081
(1-Iodopentylidene)cyclopentane
CID 13323391
1-Iodoethylidenecyclohexane
CID 13268581

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-iodohex-3-ene?
The IUPAC name of 3-ethyl-4-iodohex-3-ene (CID 86173719) is 3-ethyl-4-iodohex-3-ene.
What is the SMILES notation for 3-ethyl-4-iodohex-3-ene?
The canonical SMILES for 3-ethyl-4-iodohex-3-ene is CCC(I)=C(CC)CC.
What is the InChIKey of 3-ethyl-4-iodohex-3-ene?
The InChIKey is BLQUAYYZHFTCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15I/c1-4-7(5-2)8(9)6-3/h4-6H2,1-3H3.
What are the key properties of 3-ethyl-4-iodohex-3-ene?
3-ethyl-4-iodohex-3-ene has a molecular weight of 238.11 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-iodohex-3-ene is sourced from PubChem (CID 86173719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).