2,5-diiodo-1,2,3,3a,4,5,6,6a-octahydropentalene

C8H12I2 — CID 130334705

IUPAC2,5-diiodo-1,2,3,3a,4,5,6,6a-octahydropentalene
SMILESIC1CC2CC(I)CC2C1
InChIInChI=1S/C8H12I2/c9-7-1-5-2-8(10)4-6(5)3-7/h5-8H,1-4H2
InChIKeyIZLMCQUJVAWZNB-UHFFFAOYSA-N
MW361.99 g/mol
LogP3.41
Rot. Bonds

About 2,5-diiodo-1,2,3,3a,4,5,6,6a-octahydropentalene

2,5-diiodo-1,2,3,3a,4,5,6,6a-octahydropentalene (PubChem CID 130334705) has the molecular formula C8H12I2 and a molecular weight of 361.99 g/mol. Its IUPAC name is 2,5-diiodo-1,2,3,3a,4,5,6,6a-octahydropentalene.

Molecular Properties

Compound Name2,5-diiodo-1,2,3,3a,4,5,6,6a-octahydropentalene
PubChem CID130334705
Molecular FormulaC8H12I2
Molecular Weight361.99 g/mol
Exact Mass361.90
IUPAC Name2,5-diiodo-1,2,3,3a,4,5,6,6a-octahydropentalene
SMILESIC1CC2CC(I)CC2C1
InChIInChI=1S/C8H12I2/c9-7-1-5-2-8(10)4-6(5)3-7/h5-8H,1-4H2
InChIKeyIZLMCQUJVAWZNB-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.99
LogP ≤ 53.41
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

3,6-diiodobicyclo[3.1.1]heptane
CID 170185252
1,3-diiodocyclobutane
CID 522914
1,3-dibromo-5-iodocyclohexane
CID 122583756
1-iodo-3-(iodomethyl)cyclobutane
CID 122661974
2-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 14026385
4-iodo-2,6-dimethylcyclohexan-1-amine
CID 171580818
2-iodoadamantane
CID 584609
(4aS,8aR)-2-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 89170380
(8aR)-2-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 89170961
1,2-bis[(dihydroxyamino)oxy]-4-iodocyclopentane
CID 89174407
(1R,5S)-3-iodo-9-methyl-9-azabicyclo[3.3.1]nonane
CID 143603452
N-(3-iodocyclobutyl)acetamide
CID 145126673

Frequently Asked Questions

What is the IUPAC name of 2,5-diiodo-1,2,3,3a,4,5,6,6a-octahydropentalene?
The IUPAC name of 2,5-diiodo-1,2,3,3a,4,5,6,6a-octahydropentalene (CID 130334705) is 2,5-diiodo-1,2,3,3a,4,5,6,6a-octahydropentalene.
What is the SMILES notation for 2,5-diiodo-1,2,3,3a,4,5,6,6a-octahydropentalene?
The canonical SMILES for 2,5-diiodo-1,2,3,3a,4,5,6,6a-octahydropentalene is IC1CC2CC(I)CC2C1.
What is the InChIKey of 2,5-diiodo-1,2,3,3a,4,5,6,6a-octahydropentalene?
The InChIKey is IZLMCQUJVAWZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12I2/c9-7-1-5-2-8(10)4-6(5)3-7/h5-8H,1-4H2.
What are the key properties of 2,5-diiodo-1,2,3,3a,4,5,6,6a-octahydropentalene?
2,5-diiodo-1,2,3,3a,4,5,6,6a-octahydropentalene has a molecular weight of 361.99 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diiodo-1,2,3,3a,4,5,6,6a-octahydropentalene is sourced from PubChem (CID 130334705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).