cycloocta-1,5-diene;ethylcyclopentane;iridium

C15H26Ir — CID 161218097

IUPACcycloocta-1,5-diene;ethylcyclopentane;iridium
SMILESC1=CCCC=CCC1.CCC1CCCC1.[Ir]
InChIInChI=1S/C8H12.C7H14.Ir/c1-2-4-6-8-7-5-3-1;1-2-7-5-3-4-6-7;/h1-2,7-8H,3-6H2;7H,2-6H2,1H3;
InChIKeySMGGKARUJJWGEF-UHFFFAOYSA-N
MW398.59 g/mol
LogP5.26
Rot. Bonds1

About cycloocta-1,5-diene;ethylcyclopentane;iridium

cycloocta-1,5-diene;ethylcyclopentane;iridium (PubChem CID 161218097) has the molecular formula C15H26Ir and a molecular weight of 398.59 g/mol. Its IUPAC name is cycloocta-1,5-diene;ethylcyclopentane;iridium.

Molecular Properties

Compound Namecycloocta-1,5-diene;ethylcyclopentane;iridium
PubChem CID161218097
Molecular FormulaC15H26Ir
Molecular Weight398.59 g/mol
Exact Mass399.17
IUPAC Namecycloocta-1,5-diene;ethylcyclopentane;iridium
SMILESC1=CCCC=CCC1.CCC1CCCC1.[Ir]
InChIInChI=1S/C8H12.C7H14.Ir/c1-2-4-6-8-7-5-3-1;1-2-7-5-3-4-6-7;/h1-2,7-8H,3-6H2;7H,2-6H2,1H3;
InChIKeySMGGKARUJJWGEF-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.59
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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ethylcyclopentane;methane
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tris(ethylcyclopentane);gadolinium
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cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
ethane;bis(ethylcyclopentane)
CID 158911237
chromium;bis(ethylcyclopentane)
CID 91996240
ethylcyclopentane;methanamine
CID 142068671
magnesium;carbanide;bis(ethylcyclopentane)
CID 121233150
carbanide;bis(ethylcyclopentane);tungsten dihydride
CID 164887185
(1E)-4-ethylcyclononene
CID 173294851
ethylcyclooctane;fluoromethane
CID 174962953
ethylcyclohexane;formonitrile
CID 174889190

Frequently Asked Questions

What is the IUPAC name of cycloocta-1,5-diene;ethylcyclopentane;iridium?
The IUPAC name of cycloocta-1,5-diene;ethylcyclopentane;iridium (CID 161218097) is cycloocta-1,5-diene;ethylcyclopentane;iridium.
What is the SMILES notation for cycloocta-1,5-diene;ethylcyclopentane;iridium?
The canonical SMILES for cycloocta-1,5-diene;ethylcyclopentane;iridium is C1=CCCC=CCC1.CCC1CCCC1.[Ir].
What is the InChIKey of cycloocta-1,5-diene;ethylcyclopentane;iridium?
The InChIKey is SMGGKARUJJWGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.C7H14.Ir/c1-2-4-6-8-7-5-3-1;1-2-7-5-3-4-6-7;/h1-2,7-8H,3-6H2;7H,2-6H2,1H3;.
What are the key properties of cycloocta-1,5-diene;ethylcyclopentane;iridium?
cycloocta-1,5-diene;ethylcyclopentane;iridium has a molecular weight of 398.59 g/mol, XLogP of 5.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocta-1,5-diene;ethylcyclopentane;iridium is sourced from PubChem (CID 161218097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).