2-methylpropanoic acid;ruthenium

C4H8O2Ru — CID 88674751

IUPAC2-methylpropanoic acid;ruthenium
SMILESCC(C)C(=O)O.[Ru]
InChIInChI=1S/C4H8O2.Ru/c1-3(2)4(5)6;/h3H,1-2H3,(H,5,6);
InChIKeyAHQCMBTUDVSBOO-UHFFFAOYSA-N
MW189.18 g/mol
LogP0.72
Rot. Bonds1

About 2-methylpropanoic acid;ruthenium

2-methylpropanoic acid;ruthenium (PubChem CID 88674751) has the molecular formula C4H8O2Ru and a molecular weight of 189.18 g/mol. Its IUPAC name is 2-methylpropanoic acid;ruthenium.

Molecular Properties

Compound Name2-methylpropanoic acid;ruthenium
PubChem CID88674751
Molecular FormulaC4H8O2Ru
Molecular Weight189.18 g/mol
Exact Mass189.96
IUPAC Name2-methylpropanoic acid;ruthenium
SMILESCC(C)C(=O)O.[Ru]
InChIInChI=1S/C4H8O2.Ru/c1-3(2)4(5)6;/h3H,1-2H3,(H,5,6);
InChIKeyAHQCMBTUDVSBOO-UHFFFAOYSA-N
XLogP0.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methylpropanoic acid
CID 173073412
azane;2-methylpropanoic acid;hydrate
CID 161320294
alumane;2-methylpropanoic acid
CID 173068323
cerium;tris(2-methylpropanoic acid)
CID 153360547
methanol;2-methylpropanoic acid
CID 159214919
CID 161404788
CID 161404788
lithium;hydride;bis(2-methylpropanoic acid)
CID 175577602
dichloromethane;2-methylpropanoic acid
CID 161358956
2-methylpropanoic acid;sulfuric acid
CID 160710390
2-methylpropanoic acid;triiodovanadium
CID 158772262
(Z)-but-2-enedioic acid;2-methylpropanoic acid
CID 175222424
cyclopropanol;2-methylpropanoic acid
CID 174792699

Frequently Asked Questions

What is the IUPAC name of 2-methylpropanoic acid;ruthenium?
The IUPAC name of 2-methylpropanoic acid;ruthenium (CID 88674751) is 2-methylpropanoic acid;ruthenium.
What is the SMILES notation for 2-methylpropanoic acid;ruthenium?
The canonical SMILES for 2-methylpropanoic acid;ruthenium is CC(C)C(=O)O.[Ru].
What is the InChIKey of 2-methylpropanoic acid;ruthenium?
The InChIKey is AHQCMBTUDVSBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.Ru/c1-3(2)4(5)6;/h3H,1-2H3,(H,5,6);.
What are the key properties of 2-methylpropanoic acid;ruthenium?
2-methylpropanoic acid;ruthenium has a molecular weight of 189.18 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanoic acid;ruthenium is sourced from PubChem (CID 88674751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).