1-(4-iodobutyl)cyclopenta-1,3-diene

C9H13I — CID 158882988

IUPAC1-(4-iodobutyl)cyclopenta-1,3-diene
SMILESICCCCC1=CC=CC1
InChIInChI=1S/C9H13I/c10-8-4-3-7-9-5-1-2-6-9/h1-2,5H,3-4,6-8H2
InChIKeyYAURAUAIHQUDAS-UHFFFAOYSA-N
MW248.11 g/mol
LogP3.48
Rot. Bonds4

About 1-(4-iodobutyl)cyclopenta-1,3-diene

1-(4-iodobutyl)cyclopenta-1,3-diene (PubChem CID 158882988) has the molecular formula C9H13I and a molecular weight of 248.11 g/mol. Its IUPAC name is 1-(4-iodobutyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-(4-iodobutyl)cyclopenta-1,3-diene
PubChem CID158882988
Molecular FormulaC9H13I
Molecular Weight248.11 g/mol
Exact Mass248.01
IUPAC Name1-(4-iodobutyl)cyclopenta-1,3-diene
SMILESICCCCC1=CC=CC1
InChIInChI=1S/C9H13I/c10-8-4-3-7-9-5-1-2-6-9/h1-2,5H,3-4,6-8H2
InChIKeyYAURAUAIHQUDAS-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

1-(2-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene
CID 12744927
3-cyclopenta-1,3-dien-1-ylpropyl(trimethyl)silane
CID 162074048
1-(2-chloroethyl)cyclopenta-1,3-diene
CID 67710755
11-cyclopenta-1,3-dien-1-ylundecane-1-sulfonic acid
CID 122366149
1-[6-(methoxymethoxy)hexyl]cyclopenta-1,3-diene
CID 101032482
chloro-(3-cyclopenta-1,3-dien-1-ylpropyl)-dimethylsilane
CID 154404543
carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(ethyl)azanide;bis(dimethylazanide);hafnium(4+)
CID 153433992
2-cyclopenta-1,3-dien-1-ylethyl(trimethyl)silane
CID 70149774
carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(ethyl)azanide;ethyl(methyl)azanide;zirconium(4+)
CID 153433987
1-hept-6-enylcyclohepta-1,3,5-triene
CID 144531199
1-ethylcyclopenta-1,3-diene
CID 528166
bis(1-ethylcyclopenta-1,3-diene);ruthenium
CID 12730332

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodobutyl)cyclopenta-1,3-diene?
The IUPAC name of 1-(4-iodobutyl)cyclopenta-1,3-diene (CID 158882988) is 1-(4-iodobutyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1-(4-iodobutyl)cyclopenta-1,3-diene?
The canonical SMILES for 1-(4-iodobutyl)cyclopenta-1,3-diene is ICCCCC1=CC=CC1.
What is the InChIKey of 1-(4-iodobutyl)cyclopenta-1,3-diene?
The InChIKey is YAURAUAIHQUDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13I/c10-8-4-3-7-9-5-1-2-6-9/h1-2,5H,3-4,6-8H2.
What are the key properties of 1-(4-iodobutyl)cyclopenta-1,3-diene?
1-(4-iodobutyl)cyclopenta-1,3-diene has a molecular weight of 248.11 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodobutyl)cyclopenta-1,3-diene is sourced from PubChem (CID 158882988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).