1-hexyl-2-iodocyclobutene

C10H17I — CID 10912363

IUPAC1-hexyl-2-iodocyclobutene
SMILESCCCCCCC1=C(I)CC1
InChIInChI=1S/C10H17I/c1-2-3-4-5-6-9-7-8-10(9)11/h2-8H2,1H3
InChIKeyGJBLGRBYGAZGRD-UHFFFAOYSA-N
MW264.15 g/mol
LogP4.44
Rot. Bonds5

About 1-hexyl-2-iodocyclobutene

1-hexyl-2-iodocyclobutene (PubChem CID 10912363) has the molecular formula C10H17I and a molecular weight of 264.15 g/mol. Its IUPAC name is 1-hexyl-2-iodocyclobutene.

Molecular Properties

Compound Name1-hexyl-2-iodocyclobutene
PubChem CID10912363
Molecular FormulaC10H17I
Molecular Weight264.15 g/mol
Exact Mass264.04
IUPAC Name1-hexyl-2-iodocyclobutene
SMILESCCCCCCC1=C(I)CC1
InChIInChI=1S/C10H17I/c1-2-3-4-5-6-9-7-8-10(9)11/h2-8H2,1H3
InChIKeyGJBLGRBYGAZGRD-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-Ethyl-2-methyloct-2-ene
CID 85682407
5-(2-Fluoro-1-iodoethylidene)nonane
CID 125489824
5-Butyl-6-methyldec-5-ene
CID 17995259
Trimethylnonene
CID 19373828
1,2-Dipropyl-cyclobutene
CID 10630563
(1Z)-1,2-dimethylcyclododecene
CID 12511103
2,3-Dimethylundec-2-ene
CID 13347156
3,4-Dimethyl-3-decene
CID 54555052
4-Iodo-5-(2-iodoethyl)oct-4-ene
CID 73118559
2,3-Dimethylnon-2-ene
CID 22376031
1-(4-Fluoro-1-iodohexyl)cyclobutene
CID 89847997
(Z)-5-iodo-6-(2-iodoethyl)dec-5-ene
CID 10598197

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2-iodocyclobutene?
The IUPAC name of 1-hexyl-2-iodocyclobutene (CID 10912363) is 1-hexyl-2-iodocyclobutene.
What is the SMILES notation for 1-hexyl-2-iodocyclobutene?
The canonical SMILES for 1-hexyl-2-iodocyclobutene is CCCCCCC1=C(I)CC1.
What is the InChIKey of 1-hexyl-2-iodocyclobutene?
The InChIKey is GJBLGRBYGAZGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17I/c1-2-3-4-5-6-9-7-8-10(9)11/h2-8H2,1H3.
What are the key properties of 1-hexyl-2-iodocyclobutene?
1-hexyl-2-iodocyclobutene has a molecular weight of 264.15 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2-iodocyclobutene is sourced from PubChem (CID 10912363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).