2-[(E)-2-iodoethenyl]adamantane

C12H17I — CID 171362143

IUPAC2-[(E)-2-iodoethenyl]adamantane
SMILESI/C=C/C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H17I/c13-2-1-12-10-4-8-3-9(6-10)7-11(12)5-8/h1-2,8-12H,3-7H2/b2-1+
InChIKeyHMHKNKAVQJMQEB-OWOJBTEDSA-N
MW288.17 g/mol
LogP4.01
Rot. Bonds1

About 2-[(E)-2-iodoethenyl]adamantane

2-[(E)-2-iodoethenyl]adamantane (PubChem CID 171362143) has the molecular formula C12H17I and a molecular weight of 288.17 g/mol. Its IUPAC name is 2-[(E)-2-iodoethenyl]adamantane.

Molecular Properties

Compound Name2-[(E)-2-iodoethenyl]adamantane
PubChem CID171362143
Molecular FormulaC12H17I
Molecular Weight288.17 g/mol
Exact Mass288.04
IUPAC Name2-[(E)-2-iodoethenyl]adamantane
SMILESI/C=C/C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H17I/c13-2-1-12-10-4-8-3-9(6-10)7-11(12)5-8/h1-2,8-12H,3-7H2/b2-1+
InChIKeyHMHKNKAVQJMQEB-OWOJBTEDSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyclopropylethenyl)adamantane
CID 141496914
2-iodoadamantane
CID 584609
ethyl 3-(2-adamantyl)-2-methylprop-2-enoate
CID 66689875
pentacyclo[9.5.1.13,9.15,15.17,13]icosane
CID 86001136
2-(2-adamantylmethylidene)pent-4-enoic acid
CID 69029486
adamantane;ruthenium(2+)
CID 175795757
propan-2-yl 3-(2-adamantyl)-2-methylprop-2-enoate
CID 68531100
adamantane;hydrobromide
CID 68587587
adamantane;hydrate
CID 137498586
2-[4-(2-adamantyl)piperazin-1-yl]acetamide
CID 22193964
1,2-bis(2-adamantyl)ethane-1,2-dione
CID 101080839
2-deuterio-2-(2-deuterio-2-adamantyl)adamantane
CID 10492446

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-iodoethenyl]adamantane?
The IUPAC name of 2-[(E)-2-iodoethenyl]adamantane (CID 171362143) is 2-[(E)-2-iodoethenyl]adamantane.
What is the SMILES notation for 2-[(E)-2-iodoethenyl]adamantane?
The canonical SMILES for 2-[(E)-2-iodoethenyl]adamantane is I/C=C/C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-[(E)-2-iodoethenyl]adamantane?
The InChIKey is HMHKNKAVQJMQEB-OWOJBTEDSA-N. The full InChI is InChI=1S/C12H17I/c13-2-1-12-10-4-8-3-9(6-10)7-11(12)5-8/h1-2,8-12H,3-7H2/b2-1+.
What are the key properties of 2-[(E)-2-iodoethenyl]adamantane?
2-[(E)-2-iodoethenyl]adamantane has a molecular weight of 288.17 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-iodoethenyl]adamantane is sourced from PubChem (CID 171362143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).