2-(2-iodoethyl)-1,3,3-trimethylcyclohexene

C11H19I — CID 565499

IUPAC2-(2-iodoethyl)-1,3,3-trimethylcyclohexene
SMILESCC1=C(CCI)C(C)(C)CCC1
InChIInChI=1S/C11H19I/c1-9-5-4-7-11(2,3)10(9)6-8-12/h4-8H2,1-3H3
InChIKeyDWTRPHHSOQPXSG-UHFFFAOYSA-N
MW278.18 g/mol
LogP4.34
Rot. Bonds2

About 2-(2-iodoethyl)-1,3,3-trimethylcyclohexene

2-(2-iodoethyl)-1,3,3-trimethylcyclohexene (PubChem CID 565499) has the molecular formula C11H19I and a molecular weight of 278.18 g/mol. Its IUPAC name is 2-(2-iodoethyl)-1,3,3-trimethylcyclohexene.

Molecular Properties

Compound Name2-(2-iodoethyl)-1,3,3-trimethylcyclohexene
PubChem CID565499
Molecular FormulaC11H19I
Molecular Weight278.18 g/mol
Exact Mass278.05
IUPAC Name2-(2-iodoethyl)-1,3,3-trimethylcyclohexene
SMILESCC1=C(CCI)C(C)(C)CCC1
InChIInChI=1S/C11H19I/c1-9-5-4-7-11(2,3)10(9)6-8-12/h4-8H2,1-3H3
InChIKeyDWTRPHHSOQPXSG-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 54.34
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'}

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Related Compounds

CID 11287951
CID 11287951
CID 14029510
CID 14029510
CID 596705
CID 596705
CID 100998645
CID 100998645
CID 10935981
CID 10935981
CID 20315299
CID 20315299
CID 100998652
CID 100998652
CID 129820470
CID 129820470
CID 170179066
CID 170179066
CID 21064414
CID 21064414
CID 10977858
CID 10977858
CID 13113738
CID 13113738

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodoethyl)-1,3,3-trimethylcyclohexene?
The IUPAC name of 2-(2-iodoethyl)-1,3,3-trimethylcyclohexene (CID 565499) is 2-(2-iodoethyl)-1,3,3-trimethylcyclohexene.
What is the SMILES notation for 2-(2-iodoethyl)-1,3,3-trimethylcyclohexene?
The canonical SMILES for 2-(2-iodoethyl)-1,3,3-trimethylcyclohexene is CC1=C(CCI)C(C)(C)CCC1.
What is the InChIKey of 2-(2-iodoethyl)-1,3,3-trimethylcyclohexene?
The InChIKey is DWTRPHHSOQPXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19I/c1-9-5-4-7-11(2,3)10(9)6-8-12/h4-8H2,1-3H3.
What are the key properties of 2-(2-iodoethyl)-1,3,3-trimethylcyclohexene?
2-(2-iodoethyl)-1,3,3-trimethylcyclohexene has a molecular weight of 278.18 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodoethyl)-1,3,3-trimethylcyclohexene is sourced from PubChem (CID 565499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).