1-iodo-1-prop-2-enylcyclohexane

C9H15I — CID 140656349

IUPAC1-iodo-1-prop-2-enylcyclohexane
SMILESC=CCC1(I)CCCCC1
InChIInChI=1S/C9H15I/c1-2-6-9(10)7-4-3-5-8-9/h2H,1,3-8H2
InChIKeySQVPIKLNIODPLY-UHFFFAOYSA-N
MW250.12 g/mol
LogP3.70
Rot. Bonds2

About 1-iodo-1-prop-2-enylcyclohexane

1-iodo-1-prop-2-enylcyclohexane (PubChem CID 140656349) has the molecular formula C9H15I and a molecular weight of 250.12 g/mol. Its IUPAC name is 1-iodo-1-prop-2-enylcyclohexane.

Molecular Properties

Compound Name1-iodo-1-prop-2-enylcyclohexane
PubChem CID140656349
Molecular FormulaC9H15I
Molecular Weight250.12 g/mol
Exact Mass250.02
IUPAC Name1-iodo-1-prop-2-enylcyclohexane
SMILESC=CCC1(I)CCCCC1
InChIInChI=1S/C9H15I/c1-2-6-9(10)7-4-3-5-8-9/h2H,1,3-8H2
InChIKeySQVPIKLNIODPLY-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 53.70
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-iodo-1-prop-2-enylcyclohexane 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

1,1-bis(prop-2-enyl)cycloheptane
CID 90742385
1-prop-2-enylcyclooctan-1-ol
CID 12640793
1-prop-2-enylcyclododecan-1-ol
CID 11770111
1-prop-2-enylcyclodecan-1-ol
CID 102287484
2-(1-prop-2-enylcyclohexyl)acetaldehyde
CID 163359647
(2-prop-2-enyloxan-2-yl)silane
CID 123453490
1-prop-2-enylcyclohexane-1-carboxamide
CID 15707441
(1-prop-2-enylcyclohexyl) formate
CID 12671777
2-[(1-prop-2-enylcyclohexyl)amino]ethanol
CID 2818347
2-methylidene-1-prop-2-enylcycloheptan-1-ol
CID 580411
1,1-bis(prop-2-enoxy)cyclohexane
CID 10867252
methyl 1-prop-2-enylcyclohexane-1-carboxylate
CID 10932067

Frequently Asked Questions

What is the IUPAC name of 1-iodo-1-prop-2-enylcyclohexane?
The IUPAC name of 1-iodo-1-prop-2-enylcyclohexane (CID 140656349) is 1-iodo-1-prop-2-enylcyclohexane.
What is the SMILES notation for 1-iodo-1-prop-2-enylcyclohexane?
The canonical SMILES for 1-iodo-1-prop-2-enylcyclohexane is C=CCC1(I)CCCCC1.
What is the InChIKey of 1-iodo-1-prop-2-enylcyclohexane?
The InChIKey is SQVPIKLNIODPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15I/c1-2-6-9(10)7-4-3-5-8-9/h2H,1,3-8H2.
What are the key properties of 1-iodo-1-prop-2-enylcyclohexane?
1-iodo-1-prop-2-enylcyclohexane has a molecular weight of 250.12 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-1-prop-2-enylcyclohexane is sourced from PubChem (CID 140656349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).