iridium;2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)acetic acid

C12H18IrO2 — CID 175362501

IUPACiridium;2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)acetic acid
SMILESCC1=C(C)C(C)(CC(=O)O)C(C)=C1C.[Ir]
InChIInChI=1S/C12H18O2.Ir/c1-7-8(2)10(4)12(5,9(7)3)6-11(13)14;/h6H2,1-5H3,(H,13,14);
InChIKeyCVYNSXAKMXZWLN-UHFFFAOYSA-N
MW386.49 g/mol
LogP3.15
Rot. Bonds2

About iridium;2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)acetic acid

iridium;2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)acetic acid (PubChem CID 175362501) has the molecular formula C12H18IrO2 and a molecular weight of 386.49 g/mol. Its IUPAC name is iridium;2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)acetic acid.

Molecular Properties

Compound Nameiridium;2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)acetic acid
PubChem CID175362501
Molecular FormulaC12H18IrO2
Molecular Weight386.49 g/mol
Exact Mass387.09
IUPAC Nameiridium;2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)acetic acid
SMILESCC1=C(C)C(C)(CC(=O)O)C(C)=C1C.[Ir]
InChIInChI=1S/C12H18O2.Ir/c1-7-8(2)10(4)12(5,9(7)3)6-11(13)14;/h6H2,1-5H3,(H,13,14);
InChIKeyCVYNSXAKMXZWLN-UHFFFAOYSA-N
XLogP3.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of iridium;2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)acetic acid?
The IUPAC name of iridium;2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)acetic acid (CID 175362501) is iridium;2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)acetic acid.
What is the SMILES notation for iridium;2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)acetic acid?
The canonical SMILES for iridium;2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)acetic acid is CC1=C(C)C(C)(CC(=O)O)C(C)=C1C.[Ir].
What is the InChIKey of iridium;2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)acetic acid?
The InChIKey is CVYNSXAKMXZWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2.Ir/c1-7-8(2)10(4)12(5,9(7)3)6-11(13)14;/h6H2,1-5H3,(H,13,14);.
What are the key properties of iridium;2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)acetic acid?
iridium;2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)acetic acid has a molecular weight of 386.49 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)acetic acid is sourced from PubChem (CID 175362501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).