1-iodo-4,5,5-trimethylcyclopentene

C8H13I — CID 134856113

IUPAC1-iodo-4,5,5-trimethylcyclopentene
SMILESCC1CC=C(I)C1(C)C
InChIInChI=1S/C8H13I/c1-6-4-5-7(9)8(6,2)3/h5-6H,4H2,1-3H3
InChIKeySHPOJYFBRZBWCV-UHFFFAOYSA-N
MW236.10 g/mol
LogP3.37
Rot. Bonds

About 1-iodo-4,5,5-trimethylcyclopentene

1-iodo-4,5,5-trimethylcyclopentene (PubChem CID 134856113) has the molecular formula C8H13I and a molecular weight of 236.10 g/mol. Its IUPAC name is 1-iodo-4,5,5-trimethylcyclopentene.

Molecular Properties

Compound Name1-iodo-4,5,5-trimethylcyclopentene
PubChem CID134856113
Molecular FormulaC8H13I
Molecular Weight236.10 g/mol
Exact Mass236.01
IUPAC Name1-iodo-4,5,5-trimethylcyclopentene
SMILESCC1CC=C(I)C1(C)C
InChIInChI=1S/C8H13I/c1-6-4-5-7(9)8(6,2)3/h5-6H,4H2,1-3H3
InChIKeySHPOJYFBRZBWCV-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-iodo-4,5,5-trimethylcyclopentene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-1,4,5,5-tetramethylcyclohexene
CID 145469931
N-[1-[(4R)-4,5,5-trimethylcyclopenten-1-yl]ethenyl]acetamide
CID 135012318
1-(4,5,5-trimethylcyclopenten-1-yl)hex-1-en-3-ol
CID 67929413
(3R,5S)-4,4,5,8-tetramethyl-1-oxaspiro[2.5]oct-7-ene
CID 57201556
(1S,5S)-2-(hydroxymethyl)-5-methyl-1-propan-2-ylcyclopent-2-en-1-ol
CID 10702297
[(2Z)-2-hydroxyimino-2-[(4R)-4,5,5-trimethylcyclopenten-1-yl]ethyl] acetate
CID 135039108
3-chloro-1-methylbicyclo[4.1.0]hept-3-ene
CID 163431479
(5R)-5-(1,2-dimethylcyclopropyl)-2-methylcyclohex-2-en-1-one
CID 162016091
(4,6,6-trimethylcyclohexen-1-yl)methanol
CID 21263747
(3aS,6aS)-6,6a-dimethyl-2,3,3a,4-tetrahydro-1H-pentalene
CID 101365491
1,2,5,5,8a-pentamethyl-3,6,7,8-tetrahydro-2H-naphthalen-1-ol
CID 585258
(1S,4S,5S,7aR)-5-ethenyl-1,4,5,7a-tetramethyl-2,4,6,7-tetrahydro-1H-indene
CID 163047709

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4,5,5-trimethylcyclopentene?
The IUPAC name of 1-iodo-4,5,5-trimethylcyclopentene (CID 134856113) is 1-iodo-4,5,5-trimethylcyclopentene.
What is the SMILES notation for 1-iodo-4,5,5-trimethylcyclopentene?
The canonical SMILES for 1-iodo-4,5,5-trimethylcyclopentene is CC1CC=C(I)C1(C)C.
What is the InChIKey of 1-iodo-4,5,5-trimethylcyclopentene?
The InChIKey is SHPOJYFBRZBWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13I/c1-6-4-5-7(9)8(6,2)3/h5-6H,4H2,1-3H3.
What are the key properties of 1-iodo-4,5,5-trimethylcyclopentene?
1-iodo-4,5,5-trimethylcyclopentene has a molecular weight of 236.10 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4,5,5-trimethylcyclopentene is sourced from PubChem (CID 134856113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).