CID 87408506

C4H8O2Rb — CID 87408506

IUPAC—
SMILESCCCC(=O)O.[Rb]
InChIInChI=1S/C4H8O2.Rb/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);
InChIKeyXKWQXHBWELIDTR-UHFFFAOYSA-N
MW173.57 g/mol
LogP0.49
Rot. Bonds2

About CID 87408506

CID 87408506 (PubChem CID 87408506) has the molecular formula C4H8O2Rb and a molecular weight of 173.57 g/mol.

Molecular Properties

Compound NameCID 87408506
PubChem CID87408506
Molecular FormulaC4H8O2Rb
Molecular Weight173.57 g/mol
Exact Mass172.96
IUPAC Name—
SMILESCCCC(=O)O.[Rb]
InChIInChI=1S/C4H8O2.Rb/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);
InChIKeyXKWQXHBWELIDTR-UHFFFAOYSA-N
XLogP0.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.57
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 87408506?
The IUPAC name of CID 87408506 (CID 87408506) is not available.
What is the SMILES notation for CID 87408506?
The canonical SMILES for CID 87408506 is CCCC(=O)O.[Rb].
What is the InChIKey of CID 87408506?
The InChIKey is XKWQXHBWELIDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.Rb/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);.
What are the key properties of CID 87408506?
CID 87408506 has a molecular weight of 173.57 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87408506 is sourced from PubChem (CID 87408506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).