2-iodotricyclo[9.4.0.03,8]pentadeca-1(15),11,13-triene

C15H19I — CID 139448646

IUPAC2-iodotricyclo[9.4.0.03,8]pentadeca-1(15),11,13-triene
SMILESIC1c2ccccc2CCC2CCCCC21
InChIInChI=1S/C15H19I/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1,3,5,7,12,14-15H,2,4,6,8-10H2
InChIKeyLAVWEFVYSOIAAF-UHFFFAOYSA-N
MW326.22 g/mol
LogP4.92
Rot. Bonds

About 2-iodotricyclo[9.4.0.03,8]pentadeca-1(15),11,13-triene

2-iodotricyclo[9.4.0.03,8]pentadeca-1(15),11,13-triene (PubChem CID 139448646) has the molecular formula C15H19I and a molecular weight of 326.22 g/mol. Its IUPAC name is 2-iodotricyclo[9.4.0.03,8]pentadeca-1(15),11,13-triene.

Molecular Properties

Compound Name2-iodotricyclo[9.4.0.03,8]pentadeca-1(15),11,13-triene
PubChem CID139448646
Molecular FormulaC15H19I
Molecular Weight326.22 g/mol
Exact Mass326.05
IUPAC Name2-iodotricyclo[9.4.0.03,8]pentadeca-1(15),11,13-triene
SMILESIC1c2ccccc2CCC2CCCCC21
InChIInChI=1S/C15H19I/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1,3,5,7,12,14-15H,2,4,6,8-10H2
InChIKeyLAVWEFVYSOIAAF-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 54.92
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

(1S)-1-cyclopentyl-2,3-dihydro-1H-indene
CID 134946753
(1S,2S)-2-cyclopentyl-1-propyl-1,2,3,4-tetrahydronaphthalene
CID 144704080
11-iodo-1,2,3,4,4a,6,11,11a-octahydrobenzo[c][1]benzoxepine
CID 138482138
1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalene
CID 156649341
1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057978
(3aS,9bS)-2-chloro-1,3,3a,4,5,9b-hexahydrobenzo[e][2]benzalumole
CID 135083025
5,6a,7,8,9,10,10a,10b,11,12-decahydro-4bH-chrysen-6-one
CID 89471715
pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-14,16,18-trien-12-one
CID 155216285
1,2-diiodo-2,3-dihydro-1H-indene
CID 18913557
(1S)-2,3-dihydro-1H-inden-1-amine
CID 7000084
cyclododecanamine;2,3-dihydro-1H-inden-1-amine
CID 157151284
3a,4,5,9b-tetrahydro-3H-cyclopenta[a]naphthalene
CID 173290143

Frequently Asked Questions

What is the IUPAC name of 2-iodotricyclo[9.4.0.03,8]pentadeca-1(15),11,13-triene?
The IUPAC name of 2-iodotricyclo[9.4.0.03,8]pentadeca-1(15),11,13-triene (CID 139448646) is 2-iodotricyclo[9.4.0.03,8]pentadeca-1(15),11,13-triene.
What is the SMILES notation for 2-iodotricyclo[9.4.0.03,8]pentadeca-1(15),11,13-triene?
The canonical SMILES for 2-iodotricyclo[9.4.0.03,8]pentadeca-1(15),11,13-triene is IC1c2ccccc2CCC2CCCCC21.
What is the InChIKey of 2-iodotricyclo[9.4.0.03,8]pentadeca-1(15),11,13-triene?
The InChIKey is LAVWEFVYSOIAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19I/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1,3,5,7,12,14-15H,2,4,6,8-10H2.
What are the key properties of 2-iodotricyclo[9.4.0.03,8]pentadeca-1(15),11,13-triene?
2-iodotricyclo[9.4.0.03,8]pentadeca-1(15),11,13-triene has a molecular weight of 326.22 g/mol, XLogP of 4.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodotricyclo[9.4.0.03,8]pentadeca-1(15),11,13-triene is sourced from PubChem (CID 139448646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).