CID 161404788

C4H8BiO2 — CID 161404788

IUPAC—
SMILESCC(C)C(=O)O.[Bi]
InChIInChI=1S/C4H8O2.Bi/c1-3(2)4(5)6;/h3H,1-2H3,(H,5,6);
InChIKeyVURTWPUJUWKQBN-UHFFFAOYSA-N
MW297.09 g/mol
LogP0.35
Rot. Bonds1

About CID 161404788

CID 161404788 (PubChem CID 161404788) has the molecular formula C4H8BiO2 and a molecular weight of 297.09 g/mol.

Molecular Properties

Compound NameCID 161404788
PubChem CID161404788
Molecular FormulaC4H8BiO2
Molecular Weight297.09 g/mol
Exact Mass297.03
IUPAC Name—
SMILESCC(C)C(=O)O.[Bi]
InChIInChI=1S/C4H8O2.Bi/c1-3(2)4(5)6;/h3H,1-2H3,(H,5,6);
InChIKeyVURTWPUJUWKQBN-UHFFFAOYSA-N
XLogP0.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.09
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze CID 161404788 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
2-methylpropanoic acid;ruthenium
CID 88674751
methanol;2-methylpropanoic acid
CID 159214919
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
cyanamide;2-methylpropanoic acid
CID 172748410

Frequently Asked Questions

What is the IUPAC name of CID 161404788?
The IUPAC name of CID 161404788 (CID 161404788) is not available.
What is the SMILES notation for CID 161404788?
The canonical SMILES for CID 161404788 is CC(C)C(=O)O.[Bi].
What is the InChIKey of CID 161404788?
The InChIKey is VURTWPUJUWKQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.Bi/c1-3(2)4(5)6;/h3H,1-2H3,(H,5,6);.
What are the key properties of CID 161404788?
CID 161404788 has a molecular weight of 297.09 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161404788 is sourced from PubChem (CID 161404788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).